adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

C136H178O59 — CID 165065161

IUPACadamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESCOC(=O)C1C2C=CC(O2)C1C(=O)O.COC(=O)C1C2CCC(O2)C1C(=O)O.COC1C2C=CC(O2)C1C(=O)O.COC1C2CCC(O2)C1C(=O)O.O=C(O)C12CC3CC(CC(C3)C1)C2.O=C(O)C12CC3CC(CC(O)(C3)C1)C2.O=C(O)C1C2C=CC(C2)C1C(=O)O.O=C(O)C1C2C=CC(C2)C1O.O=C(O)C1C2C=CC(O2)C1C(=O)O.O=C(O)C1C2C=CC(O2)C1O.O=C(O)C1C2CCC(C2)C1C(=O)O.O=C(O)C1C2CCC(C2)C1O.O=C(O)C1C2CCC(O2)C1C(=O)O.O=C(O)C1C2CCC(O2)C1O.O=C(O)C1CC2C=CC1C2.O=C(O)C1CC2CCC1C2
InChIInChI=1S/C11H16O3.C11H16O2.C9H12O5.C9H10O5.C9H12O4.C9H10O4.C8H10O5.C8H8O5.C8H12O4.C8H10O4.C8H12O3.C8H10O3.C8H12O2.C8H10O2.C7H10O4.C7H8O4/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;2*1-13-9(12)7-5-3-2-4(14-5)6(7)8(10)11;2*10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;2*9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;2*1-11-7-5-3-2-4(12-5)6(7)8(9)10;2*9-7-5-2-1-4(3-5)6(7)8(10)11;2*9-8(10)7-4-5-1-2-6(7)3-5;2*8-6-4-2-1-3(11-4)5(6)7(9)10/h7-8,14H,1-6H2,(H,12,13);7-9H,1-6H2,(H,12,13);4-7H,2-3H2,1H3,(H,10,11);2-7H,1H3,(H,10,11);4-7H,1-3H2,(H,10,11)(H,12,13);1-2,4-7H,3H2,(H,10,11)(H,12,13);3-6H,1-2H2,(H,9,10)(H,11,12);1-6H,(H,9,10)(H,11,12);4-7H,2-3H2,1H3,(H,9,10);2-7H,1H3,(H,9,10);4-7,9H,1-3H2,(H,10,11);1-2,4-7,9H,3H2,(H,10,11);5-7H,1-4H2,(H,9,10);1-2,5-7H,3-4H2,(H,9,10);3-6,8H,1-2H2,(H,9,10);1-6,8H,(H,9,10)
InChIKeyRVMHCBSMLYWJOT-UHFFFAOYSA-N
MW2756.86 g/mol
LogP7.45
Rot. Bonds24

About adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (PubChem CID 165065161) has the molecular formula C136H178O59 and a molecular weight of 2756.86 g/mol. Its IUPAC name is adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.

Molecular Properties

Compound Nameadamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
PubChem CID165065161
Molecular FormulaC136H178O59
Molecular Weight2756.86 g/mol
Exact Mass2755.09
IUPAC Nameadamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESCOC(=O)C1C2C=CC(O2)C1C(=O)O.COC(=O)C1C2CCC(O2)C1C(=O)O.COC1C2C=CC(O2)C1C(=O)O.COC1C2CCC(O2)C1C(=O)O.O=C(O)C12CC3CC(CC(C3)C1)C2.O=C(O)C12CC3CC(CC(O)(C3)C1)C2.O=C(O)C1C2C=CC(C2)C1C(=O)O.O=C(O)C1C2C=CC(C2)C1O.O=C(O)C1C2C=CC(O2)C1C(=O)O.O=C(O)C1C2C=CC(O2)C1O.O=C(O)C1C2CCC(C2)C1C(=O)O.O=C(O)C1C2CCC(C2)C1O.O=C(O)C1C2CCC(O2)C1C(=O)O.O=C(O)C1C2CCC(O2)C1O.O=C(O)C1CC2C=CC1C2.O=C(O)C1CC2CCC1C2
InChIInChI=1S/C11H16O3.C11H16O2.C9H12O5.C9H10O5.C9H12O4.C9H10O4.C8H10O5.C8H8O5.C8H12O4.C8H10O4.C8H12O3.C8H10O3.C8H12O2.C8H10O2.C7H10O4.C7H8O4/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;2*1-13-9(12)7-5-3-2-4(14-5)6(7)8(10)11;2*10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;2*9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;2*1-11-7-5-3-2-4(12-5)6(7)8(9)10;2*9-7-5-2-1-4(3-5)6(7)8(10)11;2*9-8(10)7-4-5-1-2-6(7)3-5;2*8-6-4-2-1-3(11-4)5(6)7(9)10/h7-8,14H,1-6H2,(H,12,13);7-9H,1-6H2,(H,12,13);4-7H,2-3H2,1H3,(H,10,11);2-7H,1H3,(H,10,11);4-7H,1-3H2,(H,10,11)(H,12,13);1-2,4-7H,3H2,(H,10,11)(H,12,13);3-6H,1-2H2,(H,9,10)(H,11,12);1-6H,(H,9,10)(H,11,12);4-7H,2-3H2,1H3,(H,9,10);2-7H,1H3,(H,9,10);4-7,9H,1-3H2,(H,10,11);1-2,4-7,9H,3H2,(H,10,11);5-7H,1-4H2,(H,9,10);1-2,5-7H,3-4H2,(H,9,10);3-6,8H,1-2H2,(H,9,10);1-6,8H,(H,9,10)
InChIKeyRVMHCBSMLYWJOT-UHFFFAOYSA-N
XLogP7.45
TPSA992.05 Ų
H-Bond Donors25
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.86
LogP ≤ 57.45
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[(3-Carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3,4,4-hexafluoro-5-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-5-oxopentanoate;2,2,3,3,4,4-hexafluoro-5-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-5-oxopentanoate;2,2,3,3,4,4-hexafluoro-5-oxo-5-[(4-oxo-1-adamantyl)oxy]pentanoate;2,2,3,3,4,4-hexafluoro-5-oxo-5-[[3-(2,2,2-trifluoroethoxycarbonyl)-1-adamantyl]oxy]pentanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate
CID 164950438
4-[(3-Carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate
CID 165031442
(3-Acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 157746238
(3-Acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(9-acetyloxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 157815625
[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate
CID 158413126
[1-[1-(Acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-(oxolan-2-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-3-yl)propan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate;2-(oxolan-2-yl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 158582386
(3-Acetyloxy-1-adamantyl) 2-methylprop-2-enoate;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(2-oxooxolan-3-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 158804254
(3,5-Diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 158982281
(3-Acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 159020518
(3-Acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 159815968
(3-Acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(9-acetyloxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 160483485
Acetic acid;bis(cyclohexyl 2,2-dimethylbutanoate);bis(2,2-dimethylbutanoic acid);bis(3-(2,2-dimethylbutanoyloxy)butanoic acid);tris((1-ethylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate);bis((1-ethylcyclohexyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;hexakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
CID 160651766

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The IUPAC name of adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (CID 165065161) is adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.
What is the SMILES notation for adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The canonical SMILES for adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is COC(=O)C1C2C=CC(O2)C1C(=O)O.COC(=O)C1C2CCC(O2)C1C(=O)O.COC1C2C=CC(O2)C1C(=O)O.COC1C2CCC(O2)C1C(=O)O.O=C(O)C12CC3CC(CC(C3)C1)C2.O=C(O)C12CC3CC(CC(O)(C3)C1)C2.O=C(O)C1C2C=CC(C2)C1C(=O)O.O=C(O)C1C2C=CC(C2)C1O.O=C(O)C1C2C=CC(O2)C1C(=O)O.O=C(O)C1C2C=CC(O2)C1O.O=C(O)C1C2CCC(C2)C1C(=O)O.O=C(O)C1C2CCC(C2)C1O.O=C(O)C1C2CCC(O2)C1C(=O)O.O=C(O)C1C2CCC(O2)C1O.O=C(O)C1CC2C=CC1C2.O=C(O)C1CC2CCC1C2.
What is the InChIKey of adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The InChIKey is RVMHCBSMLYWJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3.C11H16O2.C9H12O5.C9H10O5.C9H12O4.C9H10O4.C8H10O5.C8H8O5.C8H12O4.C8H10O4.C8H12O3.C8H10O3.C8H12O2.C8H10O2.C7H10O4.C7H8O4/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;2*1-13-9(12)7-5-3-2-4(14-5)6(7)8(10)11;2*10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;2*9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;2*1-11-7-5-3-2-4(12-5)6(7)8(9)10;2*9-7-5-2-1-4(3-5)6(7)8(10)11;2*9-8(10)7-4-5-1-2-6(7)3-5;2*8-6-4-2-1-3(11-4)5(6)7(9)10/h7-8,14H,1-6H2,(H,12,13);7-9H,1-6H2,(H,12,13);4-7H,2-3H2,1H3,(H,10,11);2-7H,1H3,(H,10,11);4-7H,1-3H2,(H,10,11)(H,12,13);1-2,4-7H,3H2,(H,10,11)(H,12,13);3-6H,1-2H2,(H,9,10)(H,11,12);1-6H,(H,9,10)(H,11,12);4-7H,2-3H2,1H3,(H,9,10);2-7H,1H3,(H,9,10);4-7,9H,1-3H2,(H,10,11);1-2,4-7,9H,3H2,(H,10,11);5-7H,1-4H2,(H,9,10);1-2,5-7H,3-4H2,(H,9,10);3-6,8H,1-2H2,(H,9,10);1-6,8H,(H,9,10).
What are the key properties of adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid has a molecular weight of 2756.86 g/mol, XLogP of 7.45, 24 rotatable bonds, 25 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxylic acid;bicyclo[2.2.1]heptane-2-carboxylic acid;bicyclo[2.2.1]heptane-2,3-dicarboxylic acid;bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3-hydroxyadamantane-1-carboxylic acid;3-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;3-methoxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is sourced from PubChem (CID 165065161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).