Structure Database (LMSD)

Common Name
2-Methyl-6-methylene-2E,7-octadien-1-ol
Systematic Name
2-Methyl-6-methylene-2E,7-octadien-1-ol
Synonyms
LM ID
LMFA05000123
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
Sum Composition
FOH 10:3
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)
IEVYLQISZQFFGA-JXMROGBWSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+
SMILES (Click to copy)
OC/C(/C)=C/CCC(=C)C=C

Other Databases

HMDB ID
HMDB0035241
CHEBI ID
171984
PubChem CID
5319723

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 182.43
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.73
Molar Refractivity 49.90

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Created at
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Updated at
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