4-cyclohexyl-6-methyl-3-methylideneoxan-2-one

C13H20O2 — CID 45483942

IUPAC4-cyclohexyl-6-methyl-3-methylideneoxan-2-one
SMILESC=C1C(=O)OC(C)CC1C1CCCCC1
InChIInChI=1S/C13H20O2/c1-9-8-12(10(2)13(14)15-9)11-6-4-3-5-7-11/h9,11-12H,2-8H2,1H3
InChIKeyHQFXLTQKXYJLIY-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.07
Rot. Bonds1

About 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one

4-cyclohexyl-6-methyl-3-methylideneoxan-2-one (PubChem CID 45483942) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one.

Molecular Properties

Compound Name4-cyclohexyl-6-methyl-3-methylideneoxan-2-one
PubChem CID45483942
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-cyclohexyl-6-methyl-3-methylideneoxan-2-one
SMILESC=C1C(=O)OC(C)CC1C1CCCCC1
InChIInChI=1S/C13H20O2/c1-9-8-12(10(2)13(14)15-9)11-6-4-3-5-7-11/h9,11-12H,2-8H2,1H3
InChIKeyHQFXLTQKXYJLIY-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-6-methyl-3-methylideneoxan-2-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 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one?
The IUPAC name of 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one (CID 45483942) is 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one.
What is the SMILES notation for 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one?
The canonical SMILES for 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one is C=C1C(=O)OC(C)CC1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one?
The InChIKey is HQFXLTQKXYJLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-8-12(10(2)13(14)15-9)11-6-4-3-5-7-11/h9,11-12H,2-8H2,1H3.
What are the key properties of 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one?
4-cyclohexyl-6-methyl-3-methylideneoxan-2-one has a molecular weight of 208.30 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-methyl-3-methylideneoxan-2-one is sourced from PubChem (CID 45483942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).