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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

C175H213F9O41 — CID 159566655

IUPAC4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC1=CC2CC1CC21CCOC1.C1=CC2CC1CC21COCO1.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.C=COC1C2CC3C(=O)OC1C3C2.CC(O)(C1CC2C=CC1C2)C(F)(F)F.CC(O)(CC1CC2C=CC1C2)C(F)(F)F.COC(=O)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1C=CC(=O)O1.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CC2(CO1)CC1C=CC2C1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.O=C1OCCC12CC1C=CC2C1.OC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C16H18O4.C15H16O5.C13H16O3.C12H16O2.C11H15F3O.C11H14O2.C10H13F3O.C10H12O3.2C10H12O2.C10H14O.2C9H12O2.C8H9F3O.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;11-9-10(3-4-12-9)6-7-1-2-8(10)5-7;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-8-3-7(1)4-9(8)5-10-6-11-9;1-11-9(10)8-5-6-2-3-7(8)4-6;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-5-4-7(2,3)9-6(5)8;1-3-2-4(6)8-5(3)7;1-4-2-3-7-5(4)6;5-3-1-2-4(6)7-3/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;2-3,7-9,15H,4-6H2,1H3;1-2,7-10H,3-6H2;2-3,6-8,14H,4-5H2,1H3;2,5-9H,1,3-4H2;2*1-2,7-8H,3-6H2;1-2,8-9H,3-7H2;1-2,7-8H,3-6H2;2-3,6-8H,4-5H2,1H3;1-2,5-6,12H,3-4H2;1,4H2,2-3H3;1-2H2;1-3H2;1-2H
InChIKeyMHGZBSQYILUZJB-UHFFFAOYSA-N
MW3143.57 g/mol
LogP25.80
Rot. Bonds15

About 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 159566655) has the molecular formula C175H213F9O41 and a molecular weight of 3143.57 g/mol. Its IUPAC name is 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID159566655
Molecular FormulaC175H213F9O41
Molecular Weight3143.57 g/mol
Exact Mass3141.44
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC1=CC2CC1CC21CCOC1.C1=CC2CC1CC21COCO1.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.C=COC1C2CC3C(=O)OC1C3C2.CC(O)(C1CC2C=CC1C2)C(F)(F)F.CC(O)(CC1CC2C=CC1C2)C(F)(F)F.COC(=O)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1C=CC(=O)O1.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CC2(CO1)CC1C=CC2C1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.O=C1OCCC12CC1C=CC2C1.OC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C16H18O4.C15H16O5.C13H16O3.C12H16O2.C11H15F3O.C11H14O2.C10H13F3O.C10H12O3.2C10H12O2.C10H14O.2C9H12O2.C8H9F3O.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;11-9-10(3-4-12-9)6-7-1-2-8(10)5-7;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-8-3-7(1)4-9(8)5-10-6-11-9;1-11-9(10)8-5-6-2-3-7(8)4-6;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-5-4-7(2,3)9-6(5)8;1-3-2-4(6)8-5(3)7;1-4-2-3-7-5(4)6;5-3-1-2-4(6)7-3/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;2-3,7-9,15H,4-6H2,1H3;1-2,7-10H,3-6H2;2-3,6-8,14H,4-5H2,1H3;2,5-9H,1,3-4H2;2*1-2,7-8H,3-6H2;1-2,8-9H,3-7H2;1-2,7-8H,3-6H2;2-3,6-8H,4-5H2,1H3;1-2,5-6,12H,3-4H2;1,4H2,2-3H3;1-2H2;1-3H2;1-2H
InChIKeyMHGZBSQYILUZJB-UHFFFAOYSA-N
XLogP25.80
TPSA552.55 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds15
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003143.57
LogP ≤ 525.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 159566655) is 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is C1=CC2CC1CC21CCOC1.C1=CC2CC1CC21COCO1.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.C=COC1C2CC3C(=O)OC1C3C2.CC(O)(C1CC2C=CC1C2)C(F)(F)F.CC(O)(CC1CC2C=CC1C2)C(F)(F)F.COC(=O)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1C=CC(=O)O1.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CC2(CO1)CC1C=CC2C1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.O=C1OCCC12CC1C=CC2C1.OC1(C(F)(F)F)CC2C=CC1C2.
What is the InChIKey of 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is MHGZBSQYILUZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4.C15H16O5.C13H16O3.C12H16O2.C11H15F3O.C11H14O2.C10H13F3O.C10H12O3.2C10H12O2.C10H14O.2C9H12O2.C8H9F3O.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;11-9-10(3-4-12-9)6-7-1-2-8(10)5-7;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-8-3-7(1)4-9(8)5-10-6-11-9;1-11-9(10)8-5-6-2-3-7(8)4-6;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-5-4-7(2,3)9-6(5)8;1-3-2-4(6)8-5(3)7;1-4-2-3-7-5(4)6;5-3-1-2-4(6)7-3/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;2-3,7-9,15H,4-6H2,1H3;1-2,7-10H,3-6H2;2-3,6-8,14H,4-5H2,1H3;2,5-9H,1,3-4H2;2*1-2,7-8H,3-6H2;1-2,8-9H,3-7H2;1-2,7-8H,3-6H2;2-3,6-8H,4-5H2,1H3;1-2,5-6,12H,3-4H2;1,4H2,2-3H3;1-2H2;1-3H2;1-2H.
What are the key properties of 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 3143.57 g/mol, XLogP of 25.80, 15 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol;5,5-dimethyl-3-methylideneoxolan-2-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(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;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];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];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 159566655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).