(2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C176H252O26 — CID 159029913

IUPAC(2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CC2CCC1C2.C=C(C)C(=O)OC1(C)C2(C)CCC(C2)C1(C)C.C=C(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC1(C)CC2CC1C1CCCC21.C=C(C)C(=O)OC1(C)CC2CCC1(COC)C2.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CC2CCC1C2COC.C=C(C)C(=O)OC1(CC)CC2CCC1C2.C=C(C)C(=O)OC1(c2cccc3ccccc23)CC2CCC1C2.C=CC(=O)OC1(C(C)CC)CC2CCC1C2.C=CC(=O)OC1(C)CC2CCC1C2.C=CC(=O)OC1(c2ccccc2)CC2CCC1C2
InChIInChI=1S/C21H22O2.C17H24O2.C16H18O2.C15H22O2.C15H24O2.2C14H22O3.2C14H22O2.C13H20O2.C12H18O2.C11H16O2/c1-14(2)20(22)23-21(13-15-10-11-17(21)12-15)19-9-5-7-16-6-3-4-8-18(16)19;1-9(2)16(18)19-17(3)8-12-7-13(17)15-11-5-4-10(6-11)14(12)15;1-2-15(17)18-16(13-6-4-3-5-7-13)11-12-8-9-14(16)10-12;1-9(2)14(16)17-15(3)8-10-7-13(15)12-6-4-5-11(10)12;1-10(2)12(16)17-15(6)13(3,4)11-7-8-14(15,5)9-11;1-10(2)12(15)17-13(3)7-11-5-6-14(13,8-11)9-16-4;1-9(2)13(15)17-14(3)7-10-5-6-12(14)11(10)8-16-4;1-9(2)13(15)16-14(10(3)4)8-11-5-6-12(14)7-11;1-4-10(3)14(16-13(15)5-2)9-11-6-7-12(14)8-11;1-4-13(15-12(14)9(2)3)8-10-5-6-11(13)7-10;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-3-10(12)13-11(2)7-8-4-5-9(11)6-8/h3-9,15,17H,1,10-13H2,2H3;10-15H,1,4-8H2,2-3H3;2-7,12,14H,1,8-11H2;10-13H,1,4-8H2,2-3H3;11H,1,7-9H2,2-6H3;11H,1,5-9H2,2-4H3;10-12H,1,5-8H2,2-4H3;10-12H,1,5-8H2,2-4H3;5,10-12H,2,4,6-9H2,1,3H3;10-11H,2,4-8H2,1,3H3;9-10H,1,4-7H2,2-3H3;3,8-9H,1,4-7H2,2H3
InChIKeyJUTDZCSLJCAUPJ-UHFFFAOYSA-N
MW2783.93 g/mol
LogP38.96
Rot. Bonds34

About (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

(2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 159029913) has the molecular formula C176H252O26 and a molecular weight of 2783.93 g/mol. Its IUPAC name is (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
PubChem CID159029913
Molecular FormulaC176H252O26
Molecular Weight2783.93 g/mol
Exact Mass2781.84
IUPAC Name(2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CC2CCC1C2.C=C(C)C(=O)OC1(C)C2(C)CCC(C2)C1(C)C.C=C(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC1(C)CC2CC1C1CCCC21.C=C(C)C(=O)OC1(C)CC2CCC1(COC)C2.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CC2CCC1C2COC.C=C(C)C(=O)OC1(CC)CC2CCC1C2.C=C(C)C(=O)OC1(c2cccc3ccccc23)CC2CCC1C2.C=CC(=O)OC1(C(C)CC)CC2CCC1C2.C=CC(=O)OC1(C)CC2CCC1C2.C=CC(=O)OC1(c2ccccc2)CC2CCC1C2
InChIInChI=1S/C21H22O2.C17H24O2.C16H18O2.C15H22O2.C15H24O2.2C14H22O3.2C14H22O2.C13H20O2.C12H18O2.C11H16O2/c1-14(2)20(22)23-21(13-15-10-11-17(21)12-15)19-9-5-7-16-6-3-4-8-18(16)19;1-9(2)16(18)19-17(3)8-12-7-13(17)15-11-5-4-10(6-11)14(12)15;1-2-15(17)18-16(13-6-4-3-5-7-13)11-12-8-9-14(16)10-12;1-9(2)14(16)17-15(3)8-10-7-13(15)12-6-4-5-11(10)12;1-10(2)12(16)17-15(6)13(3,4)11-7-8-14(15,5)9-11;1-10(2)12(15)17-13(3)7-11-5-6-14(13,8-11)9-16-4;1-9(2)13(15)17-14(3)7-10-5-6-12(14)11(10)8-16-4;1-9(2)13(15)16-14(10(3)4)8-11-5-6-12(14)7-11;1-4-10(3)14(16-13(15)5-2)9-11-6-7-12(14)8-11;1-4-13(15-12(14)9(2)3)8-10-5-6-11(13)7-10;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-3-10(12)13-11(2)7-8-4-5-9(11)6-8/h3-9,15,17H,1,10-13H2,2H3;10-15H,1,4-8H2,2-3H3;2-7,12,14H,1,8-11H2;10-13H,1,4-8H2,2-3H3;11H,1,7-9H2,2-6H3;11H,1,5-9H2,2-4H3;10-12H,1,5-8H2,2-4H3;10-12H,1,5-8H2,2-4H3;5,10-12H,2,4,6-9H2,1,3H3;10-11H,2,4-8H2,1,3H3;9-10H,1,4-7H2,2-3H3;3,8-9H,1,4-7H2,2H3
InChIKeyJUTDZCSLJCAUPJ-UHFFFAOYSA-N
XLogP38.96
TPSA334.06 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms202
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002783.93
LogP ≤ 538.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The IUPAC name of (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 159029913) is (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)CC2CCC1C2.C=C(C)C(=O)OC1(C)C2(C)CCC(C2)C1(C)C.C=C(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC1(C)CC2CC1C1CCCC21.C=C(C)C(=O)OC1(C)CC2CCC1(COC)C2.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CC2CCC1C2COC.C=C(C)C(=O)OC1(CC)CC2CCC1C2.C=C(C)C(=O)OC1(c2cccc3ccccc23)CC2CCC1C2.C=CC(=O)OC1(C(C)CC)CC2CCC1C2.C=CC(=O)OC1(C)CC2CCC1C2.C=CC(=O)OC1(c2ccccc2)CC2CCC1C2.
What is the InChIKey of (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
The InChIKey is JUTDZCSLJCAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2.C17H24O2.C16H18O2.C15H22O2.C15H24O2.2C14H22O3.2C14H22O2.C13H20O2.C12H18O2.C11H16O2/c1-14(2)20(22)23-21(13-15-10-11-17(21)12-15)19-9-5-7-16-6-3-4-8-18(16)19;1-9(2)16(18)19-17(3)8-12-7-13(17)15-11-5-4-10(6-11)14(12)15;1-2-15(17)18-16(13-6-4-3-5-7-13)11-12-8-9-14(16)10-12;1-9(2)14(16)17-15(3)8-10-7-13(15)12-6-4-5-11(10)12;1-10(2)12(16)17-15(6)13(3,4)11-7-8-14(15,5)9-11;1-10(2)12(15)17-13(3)7-11-5-6-14(13,8-11)9-16-4;1-9(2)13(15)17-14(3)7-10-5-6-12(14)11(10)8-16-4;1-9(2)13(15)16-14(10(3)4)8-11-5-6-12(14)7-11;1-4-10(3)14(16-13(15)5-2)9-11-6-7-12(14)8-11;1-4-13(15-12(14)9(2)3)8-10-5-6-11(13)7-10;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-3-10(12)13-11(2)7-8-4-5-9(11)6-8/h3-9,15,17H,1,10-13H2,2H3;10-15H,1,4-8H2,2-3H3;2-7,12,14H,1,8-11H2;10-13H,1,4-8H2,2-3H3;11H,1,7-9H2,2-6H3;11H,1,5-9H2,2-4H3;10-12H,1,5-8H2,2-4H3;10-12H,1,5-8H2,2-4H3;5,10-12H,2,4,6-9H2,1,3H3;10-11H,2,4-8H2,1,3H3;9-10H,1,4-7H2,2-3H3;3,8-9H,1,4-7H2,2H3.
What are the key properties of (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?
(2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 2783.93 g/mol, XLogP of 38.96, 34 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;[1-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[7-(methoxymethyl)-2-methyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(2-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(2-phenyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 159029913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).