6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one

C10H16O2 — CID 102201889

IUPAC6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one
SMILESCOCC1(C)CCC=C(C)C1=O
InChIInChI=1S/C10H16O2/c1-8-5-4-6-10(2,7-12-3)9(8)11/h5H,4,6-7H2,1-3H3
InChIKeyWKPNTTOFQJJXTR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds2

About 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one

6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one (PubChem CID 102201889) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one
PubChem CID102201889
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one
SMILESCOCC1(C)CCC=C(C)C1=O
InChIInChI=1S/C10H16O2/c1-8-5-4-6-10(2,7-12-3)9(8)11/h5H,4,6-7H2,1-3H3
InChIKeyWKPNTTOFQJJXTR-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 6-(methoxymethyl)-2,6-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

Related Compounds

1,3-Dimethyl-2-oxocyclohex-3-enecarboxylic acid, methyl ester
CID 557505
2,6-Dimethyl-6-(3-methyl-but-2-enyl)-cyclo-hex-2-enone
CID 11579258
4-(2-Methoxyethyl)-4-methylcyclohex-2-en-1-one
CID 142374861
methyl (1R,6S)-3-methyl-2-oxo-6-prop-1-en-2-ylcyclohex-3-ene-1-carboxylate
CID 12116810
(6R)-2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 12135620
Ethyl 1,4-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
CID 12634562
(1,3-Dimethyl-2-oxocyclohex-3-en-1-yl)methyl acetate
CID 14015465
(1,3-Dimethyl-2,5-dioxocyclohex-3-en-1-yl)methyl acetate
CID 14015468
6-(Methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one
CID 14568586
Ethyl 3-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 16099663
5-Methoxy-6,6-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
CID 24749109
2,6-Dimethyl-6-(4-methylpent-3-enyl)cyclohex-2-en-1-one
CID 86031321

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one (CID 102201889) is 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one is COCC1(C)CCC=C(C)C1=O.
What is the InChIKey of 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one?
The InChIKey is WKPNTTOFQJJXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-5-4-6-10(2,7-12-3)9(8)11/h5H,4,6-7H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one?
6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 102201889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).