Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-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-ARJAWSKDSA-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
-2.3355 -0.0788 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2107 0.7407 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1114 0.3021 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 -0.1196 0.7669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3399 -0.5655 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 -0.9690 1.1407 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6419 -0.5382 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7699 0.4856 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0907 -0.2191 0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0199 -1.0931 -0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2339 0.7657 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3326 1.8177 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3750 0.3136 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7310 -0.1251 1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5801 -0.7171 -1.3846 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