2-cyclohexylidene-1-(oxan-3-yl)ethanone

C13H20O2 — CID 107136064

IUPAC2-cyclohexylidene-1-(oxan-3-yl)ethanone
SMILESO=C(C=C1CCCCC1)C1CCCOC1
InChIInChI=1S/C13H20O2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h9,12H,1-8,10H2
InChIKeyXZQNIIXLUMGFFG-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.87
Rot. Bonds2

About 2-cyclohexylidene-1-(oxan-3-yl)ethanone

2-cyclohexylidene-1-(oxan-3-yl)ethanone (PubChem CID 107136064) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclohexylidene-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylidene-1-(oxan-3-yl)ethanone
PubChem CID107136064
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-cyclohexylidene-1-(oxan-3-yl)ethanone
SMILESO=C(C=C1CCCCC1)C1CCCOC1
InChIInChI=1S/C13H20O2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h9,12H,1-8,10H2
InChIKeyXZQNIIXLUMGFFG-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclohexylidene-1-(oxan-3-yl)ethanone 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

oxane-3-carboxamide
CID 22714381
(3R)-oxane-3-carboxylic acid
CID 42554318
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
cyclohexen-1-yl(oxan-3-yl)methanone
CID 63011735
oxan-2-yl(oxan-3-yl)methanone
CID 107138647
methyl (3R)-oxane-3-carboxylate
CID 86306897
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one
CID 103458002
2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
CID 103457971
5-(oxane-3-carbonyl)furan-2-carboxylic acid
CID 106946719
(3R)-oxane-3-carbothioamide
CID 96581763
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-cyclohexylidene-1-(oxan-3-yl)ethanone (CID 107136064) is 2-cyclohexylidene-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-cyclohexylidene-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-cyclohexylidene-1-(oxan-3-yl)ethanone is O=C(C=C1CCCCC1)C1CCCOC1.
What is the InChIKey of 2-cyclohexylidene-1-(oxan-3-yl)ethanone?
The InChIKey is XZQNIIXLUMGFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h9,12H,1-8,10H2.
What are the key properties of 2-cyclohexylidene-1-(oxan-3-yl)ethanone?
2-cyclohexylidene-1-(oxan-3-yl)ethanone has a molecular weight of 208.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-1-(oxan-3-yl)ethanone is sourced from PubChem (CID 107136064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).