Monomers
2-Pentenoic acid
Identifiers
IUPAC name
(E)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InchI Key
YIYBQIKDCADOSF-ONEGZZNKSA-N
SMILES
CC/C=C/C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C/C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.2542 -0.2026 0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3510 0.2627 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0351 -0.2075 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0300 0.6528 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4178 0.2233 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3402 1.0672 -0.0129 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7400 -1.1181 -0.0932 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0711 -0.8125 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7770 0.6435 1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7541 -0.8387 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7120 -0.0630 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3602 1.3699 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2952 -1.2611 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8051 1.7068 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6163 -1.4226 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers