Structure Database (LMSD)

O
Common Name
Civetone
Systematic Name
(9Z)-cycloheptadec-9-en-1-one
Synonyms
LM ID
LMFA12000402
Formula
C17H30O
Exact Mass
Calculate m/z
250.229665
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
ZKVZSBSZTMPBQR-UPHRSURJSA-N
InChi (Click to copy)
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-
SMILES (Click to copy)
C1(CCCCCCCC=CCCCCCCC1)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Civettictis civetta (#94186)
Mammalia (#40674)
Many-membered carbon rings; a new synthesis of civetone and dl-muscone.,
J Am Chem Soc, 1948
Pubmed ID: 18918792

Other Databases

Wikipedia
Civetone
CHEBI ID
78317
PubChem CID
5315941

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings
Rotatable Bonds
Van der Waals Molecular Volume 293.81
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 5.59
Molar Refractivity 78.79

Admin

Created at
19th Apr 2023
Updated at
19th Apr 2023