Structure Database (LMSD)

Common Name
Heptan-2S-ol
Systematic Name
Heptan-2S-ol
Synonyms
  • (S)-Heptan-2-ol
LM ID
LMFA05000478
Formula
C7H16O
Exact Mass
Calculate m/z
116.120115
Sum Composition
FOH 7:0
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)
CETWDUZRCINIHU-ZETCQYMHSA-N
InChi (Click to copy)
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
SMILES (Click to copy)
C[C@H](O)CCCCC

Other Databases

CHEBI ID
87378
PubChem CID
2724897

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 138.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.23
Molar Refractivity 36.33

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Created at
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Updated at
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