Structure Database (LMSD)

Common Name
4Z-Hepten-2S-ol
Systematic Name
4Z-Hepten-2S-ol
Synonyms
  • (2S)-(Z)-4-Hepten-2-ol
LM ID
LMFA05000471
Formula
C7H14O
Exact Mass
Calculate m/z
114.104465
Sum Composition
FOH 7:1
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)
KZUFTCBJDQXWOJ-MJSGSUOKSA-N
InChi (Click to copy)
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3/b5-4-/t7-/m0/s1
SMILES (Click to copy)
C(=C/CC)/C[C@@H](O)C

Other Databases

CHEBI ID
187061
PubChem CID
12544007

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 135.81
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.01
Molar Refractivity 36.24

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Created at
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Updated at
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