Structure Database (LMSD)

Common Name
3S,7,11-Trimethyl-6E,10-dodecadien-1-ol
Systematic Name
3S,7,11-Trimethyl-6E,10-dodecadien-1-ol
Synonyms
LM ID
LMFA05000152
Formula
C15H28O
Exact Mass
Calculate m/z
224.214015
Sum Composition
FOH 15:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
OOOOFOPLSIWRAR-HNRFISLBSA-N
InChi (Click to copy)
InChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,15-16H,5-6,8,10-12H2,1-4H3/b14-9+/t15-/m0/s1
SMILES (Click to copy)
OCC[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
11160445

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 271.57
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.76
Molar Refractivity 73.01

Admin

Created at
-
Updated at
-