2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol

C14H26O — CID 139755729

IUPAC2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol
SMILESCC(CC=C1CCCC1O)CC(C)(C)C
InChIInChI=1S/C14H26O/c1-11(10-14(2,3)4)8-9-12-6-5-7-13(12)15/h9,11,13,15H,5-8,10H2,1-4H3
InChIKeyKLMVNFMGCZLCSO-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.92
Rot. Bonds3

About 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol

2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol (PubChem CID 139755729) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol
PubChem CID139755729
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol
SMILESCC(CC=C1CCCC1O)CC(C)(C)C
InChIInChI=1S/C14H26O/c1-11(10-14(2,3)4)8-9-12-6-5-7-13(12)15/h9,11,13,15H,5-8,10H2,1-4H3
InChIKeyKLMVNFMGCZLCSO-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
(+)-cis-Carveol
CID 443177
Isophorol
CID 79016
(+)-trans-Carveol
CID 443178
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
(2E)-2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol
CID 6438195
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
(-)-trans-Isopiperitenol
CID 439410
3-Buten-2-ol, 3-methyl-4-[2,6,6-trimethyl-2-cyclohexen-1-yl]-
CID 5370103
Vetivenol
CID 3085365

Frequently Asked Questions

What is the IUPAC name of 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol?
The IUPAC name of 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol (CID 139755729) is 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol.
What is the SMILES notation for 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol?
The canonical SMILES for 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol is CC(CC=C1CCCC1O)CC(C)(C)C.
What is the InChIKey of 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol?
The InChIKey is KLMVNFMGCZLCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(10-14(2,3)4)8-9-12-6-5-7-13(12)15/h9,11,13,15H,5-8,10H2,1-4H3.
What are the key properties of 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol?
2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,5-trimethylhexylidene)cyclopentan-1-ol is sourced from PubChem (CID 139755729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).