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
-2.2185 -0.4277 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3531 0.5808 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0858 0.3738 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9758 0.1159 -0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3785 -0.0867 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1879 -0.3276 -1.5042 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 -0.0189 0.7044 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1208 -0.6283 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6979 -1.4073 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5751 -0.0476 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5431 0.4366 -1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6986 1.5953 0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4216 0.4366 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6145 0.0579 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6622 -0.6527 0.9356 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