Structure Database (LMSD)

Common Name
Isogeraniol
Systematic Name
3,7-Dimethyl-3Z,6-octadien-1-ol
Synonyms
LM ID
LMFA05000127
Formula
C10H18O
Exact Mass
Calculate m/z
154.135765
Sum Composition
FOH 10:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Fatty alcohols [FA05]
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Backhousia citriodora (#39976)
Magnoliopsida (#3398)
No citation found

String Representations

InChiKey (Click to copy)
DTHIOPUFUOMHAY-POHAHGRESA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,11H,4,7-8H2,1-3H3/b10-6-
SMILES (Click to copy)
OCC/C(/C)=C\C/C=C(\C)/C

Other Databases

CHEBI ID
144706
PubChem CID
5362876

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 185.07
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.96
Molar Refractivity 50.00

Admin

Created at
-
Updated at
6th Jan 2025