1-cyclohexyl-2-methoxypent-4-en-1-one

C12H20O2 — CID 101377051

IUPAC1-cyclohexyl-2-methoxypent-4-en-1-one
SMILESC=CCC(OC)C(=O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-3-7-11(14-2)12(13)10-8-5-4-6-9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyFQHZXYVVWPXVHA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.73
Rot. Bonds5

About 1-cyclohexyl-2-methoxypent-4-en-1-one

1-cyclohexyl-2-methoxypent-4-en-1-one (PubChem CID 101377051) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-methoxypent-4-en-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-methoxypent-4-en-1-one
PubChem CID101377051
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-cyclohexyl-2-methoxypent-4-en-1-one
SMILESC=CCC(OC)C(=O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-3-7-11(14-2)12(13)10-8-5-4-6-9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyFQHZXYVVWPXVHA-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-methoxypent-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methoxypent-4-en-1-one?
The IUPAC name of 1-cyclohexyl-2-methoxypent-4-en-1-one (CID 101377051) is 1-cyclohexyl-2-methoxypent-4-en-1-one.
What is the SMILES notation for 1-cyclohexyl-2-methoxypent-4-en-1-one?
The canonical SMILES for 1-cyclohexyl-2-methoxypent-4-en-1-one is C=CCC(OC)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methoxypent-4-en-1-one?
The InChIKey is FQHZXYVVWPXVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-7-11(14-2)12(13)10-8-5-4-6-9-10/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-cyclohexyl-2-methoxypent-4-en-1-one?
1-cyclohexyl-2-methoxypent-4-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methoxypent-4-en-1-one is sourced from PubChem (CID 101377051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).