3-methoxy-6-methylcyclohex-2-en-1-one

C8H12O2 — CID 10558702

IUPAC3-methoxy-6-methylcyclohex-2-en-1-one
SMILESCOC1=CC(=O)C(C)CC1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(10-2)5-8(6)9/h5-6H,3-4H2,1-2H3
InChIKeySVVCBGILNGOOCQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds1

About 3-methoxy-6-methylcyclohex-2-en-1-one

3-methoxy-6-methylcyclohex-2-en-1-one (PubChem CID 10558702) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-methoxy-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-6-methylcyclohex-2-en-1-one
PubChem CID10558702
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-methoxy-6-methylcyclohex-2-en-1-one
SMILESCOC1=CC(=O)C(C)CC1
InChIInChI=1S/C8H12O2/c1-6-3-4-7(10-2)5-8(6)9/h5-6H,3-4H2,1-2H3
InChIKeySVVCBGILNGOOCQ-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-6-methylcyclohex-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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methylcyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-6-methylcyclohex-2-en-1-one (CID 10558702) is 3-methoxy-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-6-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-6-methylcyclohex-2-en-1-one is COC1=CC(=O)C(C)CC1.
What is the InChIKey of 3-methoxy-6-methylcyclohex-2-en-1-one?
The InChIKey is SVVCBGILNGOOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-3-4-7(10-2)5-8(6)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-6-methylcyclohex-2-en-1-one?
3-methoxy-6-methylcyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10558702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).