7-Octadecanone

7-Octadecanone
Compound Structure:
Synonyms: 7-Octadecanone;octadecan-7-one;18277-00-4;SCHEMBL4378359;DTXSID70336803;FT-0767859;A812787
Compound ID: NMPC-493
PubChem ID:

536430
Molecular Formula: C18H36O
Canonical SMILES: CCCCCCCCCCCC(=O)CCCCCC
InChIKey: HHQOJAVJSCPMAC-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

268.5 g/mol

XLogP3-AA

7.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

15

Exact Mass

268.276615768 g/mol

Monoisotopic Mass

268.276615768 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

186

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Mucuna sloanei
Download SDF