3-(1-cyclopentylethenyl)cyclohexan-1-one

C13H20O — CID 71345837

IUPAC3-(1-cyclopentylethenyl)cyclohexan-1-one
SMILESC=C(C1CCCC1)C1CCCC(=O)C1
InChIInChI=1S/C13H20O/c1-10(11-5-2-3-6-11)12-7-4-8-13(14)9-12/h11-12H,1-9H2
InChIKeyLFOPOZKJBGFJNI-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.49
Rot. Bonds2

About 3-(1-cyclopentylethenyl)cyclohexan-1-one

3-(1-cyclopentylethenyl)cyclohexan-1-one (PubChem CID 71345837) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-(1-cyclopentylethenyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(1-cyclopentylethenyl)cyclohexan-1-one
PubChem CID71345837
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-(1-cyclopentylethenyl)cyclohexan-1-one
SMILESC=C(C1CCCC1)C1CCCC(=O)C1
InChIInChI=1S/C13H20O/c1-10(11-5-2-3-6-11)12-7-4-8-13(14)9-12/h11-12H,1-9H2
InChIKeyLFOPOZKJBGFJNI-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
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 3-(1-cyclopentylethenyl)cyclohexan-1-one?
The IUPAC name of 3-(1-cyclopentylethenyl)cyclohexan-1-one (CID 71345837) is 3-(1-cyclopentylethenyl)cyclohexan-1-one.
What is the SMILES notation for 3-(1-cyclopentylethenyl)cyclohexan-1-one?
The canonical SMILES for 3-(1-cyclopentylethenyl)cyclohexan-1-one is C=C(C1CCCC1)C1CCCC(=O)C1.
What is the InChIKey of 3-(1-cyclopentylethenyl)cyclohexan-1-one?
The InChIKey is LFOPOZKJBGFJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(11-5-2-3-6-11)12-7-4-8-13(14)9-12/h11-12H,1-9H2.
What are the key properties of 3-(1-cyclopentylethenyl)cyclohexan-1-one?
3-(1-cyclopentylethenyl)cyclohexan-1-one has a molecular weight of 192.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethenyl)cyclohexan-1-one is sourced from PubChem (CID 71345837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).