Structure Database (LMSD)

O O
Common Name
Heptadecyl acetate
Systematic Name
Heptadecyl acetate
Synonyms
LM ID
LMFA07010381
Formula
C19H38O2
Exact Mass
Calculate m/z
298.28718
Sum Composition
SFE 19:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

String Representations

InChiKey (Click to copy)
BGBUNTANUVVMIQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h3-18H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCCCCCCCC

References

Comments
Pherobase

Other Databases

CHEBI ID
179623
PubChem CID
69967

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.71
Molar Refractivity 92.05

Admin

Created at
-
Updated at
6th Jun 2022