Structure Database (LMSD)

Common Name
2-Methyloctan-4R-ol
Systematic Name
2-Methyloctan-4R-ol
Synonyms
LM ID
LMFA05000489
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)
BIAVIOIDPRPYJK-SECBINFHSA-N
InChi (Click to copy)
InChI=1S/C9H20O/c1-4-5-6-9(10)7-8(2)3/h8-10H,4-7H2,1-3H3/t9-/m1/s1
SMILES (Click to copy)
CC(C)C[C@H](O)CCCC

Other Databases

CHEBI ID
178394
PubChem CID
11040824

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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Updated at
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