Structure Database (LMSD)

O O
Common Name
12-Methyltetradecyl acetate
Systematic Name
12-Methyltetradecyl acetate
Synonyms
LM ID
LMFA07010326
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
SFE 17:0
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]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
SFSSSWKTUWDGQW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-4-16(2)14-12-10-8-6-5-7-9-11-13-15-19-17(3)18/h16H,4-15H2,1-3H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCCC(C)CC

References

Comments
Pherobase

Other Databases

CHEBI ID
179971
PubChem CID
11448616

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.78
Molar Refractivity 82.75

Admin

Created at
-
Updated at
6th Jun 2022