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
-1.9339 -0.2177 -0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4715 0.4665 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0090 0.3324 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7992 -0.3049 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2106 -0.3769 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0384 -0.9872 -0.6421 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7780 0.2102 1.2389 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7969 -1.3198 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0208 -0.0159 -0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3757 0.1498 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 1.5288 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9973 -0.0147 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3777 0.8127 1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4118 -0.7720 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7630 0.5089 1.2212 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