Structure Database (LMSD)

Common Name
2,3,4-Trimethyl-pentane
Systematic Name
2,3,4-Trimethyl-pentane
Synonyms
LM ID
LMFA11000711
Formula
Exact Mass
Calculate m/z
114.14085
Status
Active


Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
RLPGDEORIPLBNF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
SMILES (Click to copy)
CC(C)C(C)C(C)C

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 146.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 2.93
Molar Refractivity 38.84

Admin

Created at
-
Updated at
-