2-cyclohexyl-3-methylidenecyclopentan-1-ol

C12H20O — CID 85389440

IUPAC2-cyclohexyl-3-methylidenecyclopentan-1-ol
SMILESC=C1CCC(O)C1C1CCCCC1
InChIInChI=1S/C12H20O/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10/h10-13H,1-8H2
InChIKeyDKOMQGJLZPMXQT-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds1

About 2-cyclohexyl-3-methylidenecyclopentan-1-ol

2-cyclohexyl-3-methylidenecyclopentan-1-ol (PubChem CID 85389440) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-cyclohexyl-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-3-methylidenecyclopentan-1-ol
PubChem CID85389440
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-cyclohexyl-3-methylidenecyclopentan-1-ol
SMILESC=C1CCC(O)C1C1CCCCC1
InChIInChI=1S/C12H20O/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10/h10-13H,1-8H2
InChIKeyDKOMQGJLZPMXQT-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-cyclohexyl-3-methylidenecyclopentan-1-ol?
The IUPAC name of 2-cyclohexyl-3-methylidenecyclopentan-1-ol (CID 85389440) is 2-cyclohexyl-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for 2-cyclohexyl-3-methylidenecyclopentan-1-ol?
The canonical SMILES for 2-cyclohexyl-3-methylidenecyclopentan-1-ol is C=C1CCC(O)C1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-methylidenecyclopentan-1-ol?
The InChIKey is DKOMQGJLZPMXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10/h10-13H,1-8H2.
What are the key properties of 2-cyclohexyl-3-methylidenecyclopentan-1-ol?
2-cyclohexyl-3-methylidenecyclopentan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 85389440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).