Structure Database (LMSD)

Common Name
3,7,11-Trimethyl-6E,10-dodecadien-1-ol
Systematic Name
3,7,11-Trimethyl-6E,10-dodecadien-1-ol
Synonyms
LM ID
LMFA05000145
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-NTEUORMPSA-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+
SMILES (Click to copy)
OCCC(C)CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
188055
PubChem CID
5280341

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

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Created at
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Updated at
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