Structure Database (LMSD)

Common Name
4-Methyloctan-1-ol
Systematic Name
4-Methyloctan-1-ol
Synonyms
LM ID
LMFA05000129
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryctes elegans (#2213224)
Insecta (#50557)
Male aggregation pheromone of date palm fruit stalk borer Oryctes elegans.,
J Chem Ecol, 2004
Pubmed ID: 15112731

String Representations

InChiKey (Click to copy)
MWWKESKJRHQWEF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20O/c1-3-4-6-9(2)7-5-8-10/h9-10H,3-8H2,1-2H3
SMILES (Click to copy)
OCCCC(C)CCCC

Other Databases

CHEBI ID
178398
PubChem CID
3015987

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
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

Admin

Created at
-
Updated at
11th Dec 2024