1-cyclohex-3-en-1-yl-1-methoxypropan-2-one

C10H16O2 — CID 83225345

IUPAC1-cyclohex-3-en-1-yl-1-methoxypropan-2-one
SMILESCOC(C(C)=O)C1CC=CCC1
InChIInChI=1S/C10H16O2/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-4,9-10H,5-7H2,1-2H3
InChIKeyANADJQBVQQLNCZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one

1-cyclohex-3-en-1-yl-1-methoxypropan-2-one (PubChem CID 83225345) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-1-methoxypropan-2-one
PubChem CID83225345
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-cyclohex-3-en-1-yl-1-methoxypropan-2-one
SMILESCOC(C(C)=O)C1CC=CCC1
InChIInChI=1S/C10H16O2/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-4,9-10H,5-7H2,1-2H3
InChIKeyANADJQBVQQLNCZ-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohex-3-en-1-yl-1-methoxypropan-2-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-cyclohex-3-en-1-yl-1-methoxypropan-2-one?
The IUPAC name of 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one (CID 83225345) is 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one?
The canonical SMILES for 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one is COC(C(C)=O)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one?
The InChIKey is ANADJQBVQQLNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-4,9-10H,5-7H2,1-2H3.
What are the key properties of 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one?
1-cyclohex-3-en-1-yl-1-methoxypropan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-1-methoxypropan-2-one is sourced from PubChem (CID 83225345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).