5,9-undecadien-2-one

5,9-undecadien-2-one
Compound Structure:
Synonyms: 5,9-Undecadien-2-one;18379-05-0;DTXSID80720577;UNDECA-5,9-DIEN-2-ONE
Compound ID: NMPC-441
PubChem ID:

57215734
Molecular Formula: C11H18O
Canonical SMILES: CC=CCCC=CCCC(=O)C
InChIKey: NQVBDTYIJUEQLV-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

 

Property Value

Molecular Weight

166.26 g/mol

XLogP3-AA

2.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

6

Exact Mass

166.135765193 g/mol

Monoisotopic Mass

166.135765193 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

166

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

2

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

     Source: PubChem

                 
Source Species: Garcinia kola
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