Structure Database (LMSD)

Common Name
3-isopropyl-3-butenoic acid
Systematic Name
3-isopropyl-3-butenoic acid
Synonyms
LM ID
LMFA01020123
Formula
Exact Mass
Calculate m/z
128.08373
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
WAQITWDITIAIFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-5(2)6(3)4-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)
SMILES (Click to copy)
C=C(C(C)C)CC(=O)O

Other Databases

KEGG ID
LIPIDBANK ID
DFA7091
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 141.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.67
Molar Refractivity 36.23

Admin

Created at
-
Updated at
-