2-Heptanone

Chemical Formula:

C₇H₁₄O

Molecular Weight:

114.1855 Daltons

Monoisotopic Mass:

114.1045 Daltons

SMILES:

CCCCCC(=O)C

InChI:

1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

InChIKey:

CATSNJVOTSVZJV-UHFFFAOYSA-N

Synonyms

Heptan-2-one
Methyl n-amyl ketone

Databases

PupChem (SID): 10576

PubChem (CID): 8051

CHEMBL: CHEMBL18893

LIPID MAPS: LMFA12000004

KNApSAcK: C00001254

PDB-CCD: HTX

KEGG: C08380

3DMET: B02178

NIKKAJI: J5.091A