3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one

C11H18O3 — CID 102245909

IUPAC3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCOCOCC1=CC(=O)CCC1(C)C
InChIInChI=1S/C11H18O3/c1-11(2)5-4-10(12)6-9(11)7-14-8-13-3/h6H,4-5,7-8H2,1-3H3
InChIKeyWSWHEFPPMKYIRJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds4

About 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one

3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 102245909) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID102245909
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCOCOCC1=CC(=O)CCC1(C)C
InChIInChI=1S/C11H18O3/c1-11(2)5-4-10(12)6-9(11)7-14-8-13-3/h6H,4-5,7-8H2,1-3H3
InChIKeyWSWHEFPPMKYIRJ-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-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-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one (CID 102245909) is 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one is COCOCC1=CC(=O)CCC1(C)C.
What is the InChIKey of 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is WSWHEFPPMKYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(2)5-4-10(12)6-9(11)7-14-8-13-3/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one?
3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxymethyl)-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 102245909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).