Structure Database (LMSD)

Common Name
4S,5S-ferrugineol
Systematic Name
4S-Methylnonan-5S-ol
Synonyms
  • (4S,5S)-4-Methylnonan-5-ol
LM ID
LMFA05000497
Formula
C10H22O
Exact Mass
Calculate m/z
158.167065
Sum Composition
FOH 10:0
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)
MBZNNOPVFZCHID-UWVGGRQHSA-N
InChi (Click to copy)
InChI=1S/C10H22O/c1-4-6-8-10(11)9(3)7-5-2/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
SMILES (Click to copy)
CCC[C@H](C)[C@@H](O)CCCC

Other Databases

CHEBI ID
195931
PubChem CID
7567987

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 190.35
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.26
Molar Refractivity 50.12

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Updated at
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