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
-2.4209 0.0201 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2384 -0.5298 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -0.4273 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0531 0.2636 -0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2863 0.3626 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3753 -0.2297 1.3854 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3682 1.0816 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4105 -0.3120 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4836 1.1240 -0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3333 -0.3851 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1225 0.0530 -1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 -1.5675 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1114 -0.9369 0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9619 0.7633 -1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3241 0.7200 -0.0319 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