5,6-di(ethylidene)-4-methylpyran-2-one

C10H12O2 — CID 123325417

IUPAC5,6-di(ethylidene)-4-methylpyran-2-one
SMILESCC=c1oc(=O)cc(C)c1=CC
InChIInChI=1S/C10H12O2/c1-4-8-7(3)6-10(11)12-9(8)5-2/h4-6H,1-3H3
InChIKeyQMSHJJGWCGPSBD-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.55
Rot. Bonds

About 5,6-di(ethylidene)-4-methylpyran-2-one

5,6-di(ethylidene)-4-methylpyran-2-one (PubChem CID 123325417) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5,6-di(ethylidene)-4-methylpyran-2-one.

Molecular Properties

Compound Name5,6-di(ethylidene)-4-methylpyran-2-one
PubChem CID123325417
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5,6-di(ethylidene)-4-methylpyran-2-one
SMILESCC=c1oc(=O)cc(C)c1=CC
InChIInChI=1S/C10H12O2/c1-4-8-7(3)6-10(11)12-9(8)5-2/h4-6H,1-3H3
InChIKeyQMSHJJGWCGPSBD-UHFFFAOYSA-N
XLogP0.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-di(ethylidene)-4-methylpyran-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

Related Compounds

Ligustilide
CID 5319022
Mesitene lactone
CID 12662
4,6-Dimethyl-5-formylpyran-2-one
CID 95775
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
CID 162589
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
Nectriapyrone
CID 5358550
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
CID 5877292
Kava
CID 5281052
4-Hydroxy-6-methyl-3-(3-methylbut-2-enyl)pyran-2-one
CID 54679299
Placidene C
CID 11481458
Anhydrobarakol
CID 14429408

Frequently Asked Questions

What is the IUPAC name of 5,6-di(ethylidene)-4-methylpyran-2-one?
The IUPAC name of 5,6-di(ethylidene)-4-methylpyran-2-one (CID 123325417) is 5,6-di(ethylidene)-4-methylpyran-2-one.
What is the SMILES notation for 5,6-di(ethylidene)-4-methylpyran-2-one?
The canonical SMILES for 5,6-di(ethylidene)-4-methylpyran-2-one is CC=c1oc(=O)cc(C)c1=CC.
What is the InChIKey of 5,6-di(ethylidene)-4-methylpyran-2-one?
The InChIKey is QMSHJJGWCGPSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-8-7(3)6-10(11)12-9(8)5-2/h4-6H,1-3H3.
What are the key properties of 5,6-di(ethylidene)-4-methylpyran-2-one?
5,6-di(ethylidene)-4-methylpyran-2-one has a molecular weight of 164.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(ethylidene)-4-methylpyran-2-one is sourced from PubChem (CID 123325417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).