1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol

C12H20O — CID 66801942

IUPAC1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)C1=CCCC1
InChIInChI=1S/C12H20O/c1-10-6-4-5-9-12(10,13)11-7-2-3-8-11/h7,10,13H,2-6,8-9H2,1H3
InChIKeyIFBDSWJKWLTCAX-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.04
Rot. Bonds1

About 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol

1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol (PubChem CID 66801942) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol
PubChem CID66801942
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)C1=CCCC1
InChIInChI=1S/C12H20O/c1-10-6-4-5-9-12(10,13)11-7-2-3-8-11/h7,10,13H,2-6,8-9H2,1H3
InChIKeyIFBDSWJKWLTCAX-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol?
The IUPAC name of 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol (CID 66801942) is 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol is CC1CCCCC1(O)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol?
The InChIKey is IFBDSWJKWLTCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-6-4-5-9-12(10,13)11-7-2-3-8-11/h7,10,13H,2-6,8-9H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol?
1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 66801942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).