Structure Database (LMSD)

Common Name
3R-Methyloctan-4R-ol
Systematic Name
3R-Methyloctan-4R-ol
Synonyms
  • (3R,4R)-3-Methyloctan-4-ol
LM ID
LMFA05000485
Formula
C9H20O
Exact Mass
Calculate m/z
144.151415
Sum Composition
FOH 9:0
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)
MJOKZMZDONULOD-RKDXNWHRSA-N
InChi (Click to copy)
InChI=1S/C9H20O/c1-4-6-7-9(10)8(3)5-2/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
SMILES (Click to copy)
CC[C@@H](C)[C@H](O)CCCC

Other Databases

CHEBI ID
178392
PubChem CID
56935887

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 173.05
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.87
Molar Refractivity 45.50

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Created at
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Updated at
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