Structure Database (LMSD)

Common Name
4-Methylnonan-1-ol
Systematic Name
4-Methylnonan-1-ol
Synonyms
LM ID
LMFA05000137
Formula
C10H22O
Exact Mass
Calculate m/z
158.167065
Sum Composition
FOH 10:0
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
Tenebrio molitor (#7067)
Insecta (#50557)
No citation found

String Representations

InChiKey (Click to copy)
HECVGHIJHFNAIL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H22O/c1-3-4-5-7-10(2)8-6-9-11/h10-11H,3-9H2,1-2H3
SMILES (Click to copy)
OCCCC(C)CCCCC

Other Databases

CHEBI ID
195932
PubChem CID
14179223

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
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

Admin

Created at
-
Updated at
6th Jan 2025