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
-1.9710 0.6839 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4834 0.5769 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.7984 -0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9089 -1.2710 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6689 -0.6191 1.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5514 -1.2938 1.7647 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5876 0.6966 1.5248 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1652 1.7678 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5687 0.3160 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2229 0.1912 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3919 1.0795 -1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0171 1.2482 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4899 -1.4623 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1478 -2.3396 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4287 1.2242 1.7177 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