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
-2.3138 0.5138 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3774 -0.5903 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0613 -0.0175 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 -0.4185 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3207 0.1169 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4566 0.9669 -0.8896 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4259 -0.3132 0.7051 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0159 0.7067 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7204 1.4447 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 0.1443 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7545 -1.0774 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2426 -1.3671 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0035 0.7181 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8995 -1.1661 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2025 0.3389 0.8134 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