2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol

C13H22O — CID 118116559

IUPAC2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol
SMILESCC1C=CCC(C2CCCC2O)C1C
InChIInChI=1S/C13H22O/c1-9-5-3-6-11(10(9)2)12-7-4-8-13(12)14/h3,5,9-14H,4,6-8H2,1-2H3
InChIKeyAKYNAKLHYMAVTM-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.00
Rot. Bonds1

About 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol

2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol (PubChem CID 118116559) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol
PubChem CID118116559
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol
SMILESCC1C=CCC(C2CCCC2O)C1C
InChIInChI=1S/C13H22O/c1-9-5-3-6-11(10(9)2)12-7-4-8-13(12)14/h3,5,9-14H,4,6-8H2,1-2H3
InChIKeyAKYNAKLHYMAVTM-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.00
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 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol (CID 118116559) is 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol is CC1C=CCC(C2CCCC2O)C1C.
What is the InChIKey of 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol?
The InChIKey is AKYNAKLHYMAVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9-5-3-6-11(10(9)2)12-7-4-8-13(12)14/h3,5,9-14H,4,6-8H2,1-2H3.
What are the key properties of 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol?
2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylcyclohex-3-en-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 118116559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).