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
2.2165 0.6487 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3447 -0.4959 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0425 -0.1085 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 -0.6670 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3977 -0.2863 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3626 -0.7906 -0.7153 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6815 0.6633 0.8639 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6626 1.4521 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8001 1.0804 0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9580 0.2551 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7526 -0.8925 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3844 -1.3027 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2958 0.6367 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8072 -1.4108 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5166 1.2180 0.8936 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