8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol

C24H34O — CID 139797061

IUPAC8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol
SMILESCC1C(O)C2CC1C1C2C2CC1(C1CCCCC1)C1C3C=CC(C3)C21
InChIInChI=1S/C24H34O/c1-12-16-10-17(23(12)25)20-18-11-24(22(16)20,15-5-3-2-4-6-15)21-14-8-7-13(9-14)19(18)21/h7-8,12-23,25H,2-6,9-11H2,1H3
InChIKeyFAIXUQKPCVKZEP-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.90
Rot. Bonds1

About 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol

8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol (PubChem CID 139797061) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol.

Molecular Properties

Compound Name8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol
PubChem CID139797061
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol
SMILESCC1C(O)C2CC1C1C2C2CC1(C1CCCCC1)C1C3C=CC(C3)C21
InChIInChI=1S/C24H34O/c1-12-16-10-17(23(12)25)20-18-11-24(22(16)20,15-5-3-2-4-6-15)21-14-8-7-13(9-14)19(18)21/h7-8,12-23,25H,2-6,9-11H2,1H3
InChIKeyFAIXUQKPCVKZEP-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
6-(1-ethylcyclohexyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 90966173
5-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonitrile
CID 139711732
1-cyclopentyl-3,5-dimethylcyclohexan-1-ol
CID 64737719
9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172816215
(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 101060141
14-methylpentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
CID 57275420
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 14458344
5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
CID 90928180
1-cyclohexyl-4-methylcyclohex-2-en-1-ol
CID 165497306
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
6-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl]tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 90988375

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol?
The IUPAC name of 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol (CID 139797061) is 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol.
What is the SMILES notation for 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol?
The canonical SMILES for 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol is CC1C(O)C2CC1C1C2C2CC1(C1CCCCC1)C1C3C=CC(C3)C21.
What is the InChIKey of 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol?
The InChIKey is FAIXUQKPCVKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-12-16-10-17(23(12)25)20-18-11-24(22(16)20,15-5-3-2-4-6-15)21-14-8-7-13(9-14)19(18)21/h7-8,12-23,25H,2-6,9-11H2,1H3.
What are the key properties of 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol?
8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol has a molecular weight of 338.54 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-5-methylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-en-4-ol is sourced from PubChem (CID 139797061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).