Structure Database (LMSD)

Common Name
11E-Tetradecenyl acetate
Systematic Name
11E-Tetradecenyl acetate
Synonyms
LM ID
LMFA07010285
Formula
Exact Mass
Calculate m/z
254.22458
Sum Composition
Status
Active

Classification

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
YJINQJFQLQIYHX-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C/CC

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.31
Molar Refractivity 78.11

Admin

Created at
-
Updated at
6th Jun 2022