Structure Database (LMSD)

Common Name
4-Methyl-4E-hepten-3-ol
Systematic Name
4-Methyl-4E-hepten-3-ol
Synonyms
LM ID
LMFA05000474
Formula
C8H16O
Exact Mass
Calculate m/z
128.120115
Sum Composition
FOH 8:1
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 Semiochemicals

String Representations

InChiKey (Click to copy)
CVBRKUMLJLIZGY-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h6,8-9H,4-5H2,1-3H3/b7-6+
SMILES (Click to copy)
CCC(O)/C(/C)=C/CC

Other Databases

CHEBI ID
195855
PubChem CID
5368945

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 153.11
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.40
Molar Refractivity 40.86

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Created at
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Updated at
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