Structure Database (LMSD)

Common Name
E-subaeneol
Systematic Name
2,6-Dimethyl-6E-octen-2-ol
Synonyms
LM ID
LMFA05000536
Formula
C10H20O
Exact Mass
Calculate m/z
156.151415
Sum Composition
FOH 10:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
CWMHVHGNKIXPOD-WEVVVXLNSA-N
InChi (Click to copy)
InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,6-8H2,1-4H3/b9-5+
SMILES (Click to copy)
CC(C)(O)CCC/C(/C)=C/C

Other Databases

PubChem CID
6438294

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 187.71
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.18
Molar Refractivity 50.09

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Created at
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Updated at
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