Structure Database (LMSD)

Common Name
oct-1-en-3S-ol
Systematic Name
oct-1-en-3S-ol
Synonyms
LM ID
LMFA01050367
Formula
C8H16O
Exact Mass
Calculate m/z
128.120115
Sum Composition
FOH 8:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
VSMOENVRRABVKN-MRVPVSSYSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1
SMILES (Click to copy)
C([C@H](CCCCC)O)=C

Other Databases

CHEBI ID
46735
PubChem CID
2724898
PDB ID
3OM

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 153.11
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.40
Molar Refractivity 40.86

Admin

Created at
-
Updated at
2nd Jul 2024