2-(methoxymethylidene)cyclohexan-1-one

C8H12O2 — CID 69074963

IUPAC2-(methoxymethylidene)cyclohexan-1-one
SMILESCOC=C1CCCCC1=O
InChIInChI=1S/C8H12O2/c1-10-6-7-4-2-3-5-8(7)9/h6H,2-5H2,1H3
InChIKeyUCWMGZDNQXYAGL-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds1

About 2-(methoxymethylidene)cyclohexan-1-one

2-(methoxymethylidene)cyclohexan-1-one (PubChem CID 69074963) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(methoxymethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name2-(methoxymethylidene)cyclohexan-1-one
PubChem CID69074963
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(methoxymethylidene)cyclohexan-1-one
SMILESCOC=C1CCCCC1=O
InChIInChI=1S/C8H12O2/c1-10-6-7-4-2-3-5-8(7)9/h6H,2-5H2,1H3
InChIKeyUCWMGZDNQXYAGL-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(methoxymethylidene)cyclohexan-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-(Isopropoxymethylene)cyclohexanone
CID 12389581
(Z)-(2-oxocyclohexylidene)methanolate
CID 21795911
3,5-Dimethyl-4H-pyran-4-one
CID 579951
2-(Ethoxymethylidene)cyclohexan-1-one
CID 12670641
Sodium(2-oxocyclohexylidene)methanolate
CID 54594049
2-(Ethoxymethylidene)-4-methylcyclohexan-1-one
CID 63708988
[(E)-(2-oxocyclohexylidene)methyl] acetate
CID 12208063
(2Z)-2-(methoxymethylidene)cyclohexan-1-one
CID 10920600
(2E)-2-(ethoxymethylidene)cyclohexan-1-one
CID 12670640
(2-Oxocyclohexylidene)methanolate
CID 15822388
4-(Methoxymethylidene)heptane-3,5-dione
CID 20316047
(2Z)-2-(methoxymethylidene)hexanal
CID 20379669

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylidene)cyclohexan-1-one?
The IUPAC name of 2-(methoxymethylidene)cyclohexan-1-one (CID 69074963) is 2-(methoxymethylidene)cyclohexan-1-one.
What is the SMILES notation for 2-(methoxymethylidene)cyclohexan-1-one?
The canonical SMILES for 2-(methoxymethylidene)cyclohexan-1-one is COC=C1CCCCC1=O.
What is the InChIKey of 2-(methoxymethylidene)cyclohexan-1-one?
The InChIKey is UCWMGZDNQXYAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-6-7-4-2-3-5-8(7)9/h6H,2-5H2,1H3.
What are the key properties of 2-(methoxymethylidene)cyclohexan-1-one?
2-(methoxymethylidene)cyclohexan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylidene)cyclohexan-1-one is sourced from PubChem (CID 69074963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).