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
-2.2815 0.0087 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3206 -0.1458 -0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.2491 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0446 -0.5972 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3695 -0.1680 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3632 -0.9466 0.1381 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6071 1.1138 0.6351 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2965 -0.2574 0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9736 -0.7550 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2046 1.0107 0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5965 0.5244 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3655 -1.2180 -0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1758 1.2600 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9071 -1.6039 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5292 1.5253 0.4215 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