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
-2.0688 0.1153 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2470 0.4989 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1882 0.2038 -0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6476 -0.3300 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0716 -0.6054 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5734 -1.1077 1.4695 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9570 -0.3015 -0.5983 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8638 0.8759 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1380 0.1908 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8989 -0.9218 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6714 -0.0188 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3644 1.6185 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8533 0.4457 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0203 -0.5866 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9409 -0.0770 -0.4202 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