4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one

C10H14O3 — CID 91391325

IUPAC4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one
SMILESC=CC1C(OC)=CC(=O)CC1OC
InChIInChI=1S/C10H14O3/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h4-5,8,10H,1,6H2,2-3H3
InChIKeyYFCHIAVKTCYANL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds3

About 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one

4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one (PubChem CID 91391325) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one
PubChem CID91391325
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one
SMILESC=CC1C(OC)=CC(=O)CC1OC
InChIInChI=1S/C10H14O3/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h4-5,8,10H,1,6H2,2-3H3
InChIKeyYFCHIAVKTCYANL-UHFFFAOYSA-N
XLogP1.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethenyl-3,5-dimethoxycyclohex-2-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

Related Compounds

2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
3-Methoxy-5-methylcyclohex-2-en-1-one
CID 12641265
2-Cyclohexen-1-one, 3-(2-methylpropoxy)-6-(2-propenyl)-
CID 11252779
3-Methoxy-6-prop-2-enylcyclohex-2-en-1-one
CID 12836518
(2S)-6-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 102294821
3-Methoxy-6-methylcyclohex-2-en-1-one
CID 10558702
3-Ethoxy-6-methyl-2-cyclohexen-1-one
CID 10986463
6-Methyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 11686940
3-Ethoxy-4-methylcyclohex-2-en-1-one
CID 13082856
(+)-3-Ethoxy-6-(2-propenyl)-2-cyclohexen-1-one
CID 14383745
2,3,5-trimethyl-6-[(E)-pent-3-en-2-yl]-2,3-dihydropyran-4-one
CID 14477212
5-Methyl-3-propan-2-yloxy-6-prop-2-enylcyclohex-2-en-1-one
CID 20469321

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one?
The IUPAC name of 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one (CID 91391325) is 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one.
What is the SMILES notation for 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one?
The canonical SMILES for 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one is C=CC1C(OC)=CC(=O)CC1OC.
What is the InChIKey of 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one?
The InChIKey is YFCHIAVKTCYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h4-5,8,10H,1,6H2,2-3H3.
What are the key properties of 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one?
4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,5-dimethoxycyclohex-2-en-1-one is sourced from PubChem (CID 91391325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).