Structure Database (LMSD)

Common Name
3,4,7-Trimethyl-2E,6-octadien-1-ol
Systematic Name
3,4,7-Trimethyl-2E,6-octadien-1-ol
Synonyms
LM ID
LMFA05000125
Formula
C11H20O
Exact Mass
Calculate m/z
168.151415
Sum Composition
FOH 11:2
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)
ZPIKDJYPRJOHLN-YRNVUSSQSA-N
InChi (Click to copy)
InChI=1S/C11H20O/c1-9(2)5-6-10(3)11(4)7-8-12/h5,7,10,12H,6,8H2,1-4H3/b11-7+
SMILES (Click to copy)
OC/C=C(\C)/C(C)C/C=C(\C)/C

Other Databases

PubChem CID
14526717

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 202.37
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.20
Molar Refractivity 54.54

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Created at
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Updated at
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