4-Methyl-4-hepten-3-one

4-Methyl-4-hepten-3-one
Compound Structure:
Synonyms: 4-METHYL-4-HEPTEN-3-ONE;4-Methyl-4E-hepten-3-one;(E)-4-methylhept-4-en-3-one;22319-31-9;4-Hepten-3-one, 4-methyl-; SCHEMBL5027289; CHEBI:195686; DTXSID001009378;LMFA12000095;(4E)-4-Methyl-4-hepten-3-one
Compound ID: NMPC-425
PubChem ID:

5362893
Molecular Formula: C8H14O
Canonical SMILES: CCC=C(C)C(=O)CC
InChIKey: BDBHRHLQMIKKIB-VOTSOKGWSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

126.20 g/mol

XLogP3-AA

2

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

123

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

     Source: PubChem

                                                    
Source Species: Costus afer
Synepalum dulcificum
Hyptis suaveolens
Erythrina senegalensis
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