Structure Database (LMSD)

Common Name
(2xi,4xi)-2,4-Dimethyl-1-hexanol
Systematic Name
2,4-dimethylhexan-1-ol
Synonyms
LM ID
LMFA05000553
Formula
Exact Mass
Calculate m/z
130.135765
Sum Composition
Status
Curated

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
GDRBQWCGBCJTLB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18O/c1-4-7(2)5-8(3)6-9/h7-9H,4-6H2,1-3H3
SMILES (Click to copy)
OCC(CC(CC)C)C

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 155.75
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.34
Molar Refractivity 40.81

Admin

Created at
-
Updated at
-