2-Hexanone, 3-methyl-4-methylene-

2-Hexanone, 3-methyl-4-methylene-
Compound Structure:
Synonyms: 4-Ethyl-3-methyl-4-penten-2-one;2-Hexanone, 3-methyl-4-methylene-;20690-71-5;4-Ethyl-3-methyl-4-penten-2-one
Compound ID: NMPC-244
PubChem ID:

536968
Molecular Formula: C8H14O
Canonical SMILES: CCC(=C)C(C)C(=O)C
InChIKey: ZMJGXVIIRPMPAM-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

126.20 g/mol

XLogP3-AA

2.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

3

Exact Mass

126.104465066 g/mol

Monoisotopic Mass

126.104465066 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

125

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Hyptis suaveolens
Erythrina senegalensis
Download SDF