9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate

C66H92O2 — CID 158001966

IUPAC9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate
SMILESC1=CC2CC1C1C3C=CC(C3)C21.C1=CC2CC1C1C3CC(CC4CCCCC4)C(C3)C21.C1=CC2CC1C1C3CC(CCC4CCCCC4)C(C3)C21.CC(=O)OCC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H30.C19H28.C15H20O2.C12H14/c1-2-4-13(5-3-1)6-7-14-10-17-12-18(14)20-16-9-8-15(11-16)19(17)20;1-2-4-12(5-3-1)8-15-10-16-11-17(15)19-14-7-6-13(9-14)18(16)19;1-8(16)17-7-12-5-11-6-13(12)15-10-3-2-9(4-10)14(11)15;1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h8-9,13-20H,1-7,10-12H2;6-7,12-19H,1-5,8-11H2;2-3,9-15H,4-7H2,1H3;1-4,7-12H,5-6H2
InChIKeyFDVMWURGIQMFIV-UHFFFAOYSA-N
MW917.46 g/mol
LogP15.77
Rot. Bonds7

About 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate

9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate (PubChem CID 158001966) has the molecular formula C66H92O2 and a molecular weight of 917.46 g/mol. Its IUPAC name is 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate.

Molecular Properties

Compound Name9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate
PubChem CID158001966
Molecular FormulaC66H92O2
Molecular Weight917.46 g/mol
Exact Mass916.71
IUPAC Name9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate
SMILESC1=CC2CC1C1C3C=CC(C3)C21.C1=CC2CC1C1C3CC(CC4CCCCC4)C(C3)C21.C1=CC2CC1C1C3CC(CCC4CCCCC4)C(C3)C21.CC(=O)OCC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H30.C19H28.C15H20O2.C12H14/c1-2-4-13(5-3-1)6-7-14-10-17-12-18(14)20-16-9-8-15(11-16)19(17)20;1-2-4-12(5-3-1)8-15-10-16-11-17(15)19-14-7-6-13(9-14)18(16)19;1-8(16)17-7-12-5-11-6-13(12)15-10-3-2-9(4-10)14(11)15;1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h8-9,13-20H,1-7,10-12H2;6-7,12-19H,1-5,8-11H2;2-3,9-15H,4-7H2,1H3;1-4,7-12H,5-6H2
InChIKeyFDVMWURGIQMFIV-UHFFFAOYSA-N
XLogP15.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.46
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate with MolForge

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Related Compounds

9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate
CID 160579123
methyl 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl carbonate
CID 139891347
ethyl 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl carbonate
CID 139891328
9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 160562835
methyl 3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propanoate
CID 86585297
9-[(2-methylpropan-2-yl)oxymethyl]tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139797174
butyl 3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propanoate
CID 139807389
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172844405
2,2-bis(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethoxymethyl)butan-1-ol
CID 71218355
2-cyclohexyl-3-(2-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552713
9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172816215

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate?
The IUPAC name of 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate (CID 158001966) is 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate.
What is the SMILES notation for 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate?
The canonical SMILES for 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate is C1=CC2CC1C1C3C=CC(C3)C21.C1=CC2CC1C1C3CC(CC4CCCCC4)C(C3)C21.C1=CC2CC1C1C3CC(CCC4CCCCC4)C(C3)C21.CC(=O)OCC1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate?
The InChIKey is FDVMWURGIQMFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30.C19H28.C15H20O2.C12H14/c1-2-4-13(5-3-1)6-7-14-10-17-12-18(14)20-16-9-8-15(11-16)19(17)20;1-2-4-12(5-3-1)8-15-10-16-11-17(15)19-14-7-6-13(9-14)18(16)19;1-8(16)17-7-12-5-11-6-13(12)15-10-3-2-9(4-10)14(11)15;1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h8-9,13-20H,1-7,10-12H2;6-7,12-19H,1-5,8-11H2;2-3,9-15H,4-7H2,1H3;1-4,7-12H,5-6H2.
What are the key properties of 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate?
9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate has a molecular weight of 917.46 g/mol, XLogP of 15.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate is sourced from PubChem (CID 158001966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).