Structure Database (LMSD)

Common Name
6-Methyloctan-3-ol
Systematic Name
6-Methyloctan-3-ol
Synonyms
LM ID
LMFA05000494
Formula
C9H20O
Exact Mass
Calculate m/z
144.151415
Sum Composition
FOH 9:0
Status
Curated
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)
MFYHIHFYDULUQP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20O/c1-4-8(3)6-7-9(10)5-2/h8-10H,4-7H2,1-3H3
SMILES (Click to copy)
CCC(O)CCC(C)CC

Other Databases

CHEBI ID
178397
PubChem CID
14158006

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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