6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one

C11H18O2 — CID 12917225

IUPAC6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one
SMILESCC(C)COC1=CC(=O)C(C)CC1
InChIInChI=1S/C11H18O2/c1-8(2)7-13-10-5-4-9(3)11(12)6-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyGJHFRRIPRMWEIM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds3

About 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one

6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one (PubChem CID 12917225) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one
PubChem CID12917225
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one
SMILESCC(C)COC1=CC(=O)C(C)CC1
InChIInChI=1S/C11H18O2/c1-8(2)7-13-10-5-4-9(3)11(12)6-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyGJHFRRIPRMWEIM-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-3-(2-methylpropoxy)cyclohex-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 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one?
The IUPAC name of 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one (CID 12917225) is 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one.
What is the SMILES notation for 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one?
The canonical SMILES for 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one is CC(C)COC1=CC(=O)C(C)CC1.
What is the InChIKey of 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one?
The InChIKey is GJHFRRIPRMWEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)7-13-10-5-4-9(3)11(12)6-10/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one?
6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropoxy)cyclohex-2-en-1-one is sourced from PubChem (CID 12917225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).