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
-2.2809 0.0015 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3361 0.1105 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0587 0.3198 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0387 -0.5167 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4112 -0.2973 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2882 -1.1289 0.4268 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8232 0.7924 -0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3056 0.1103 -0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1836 -1.0068 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1129 0.8185 -1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -0.7693 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6746 1.0243 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3064 1.1961 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8083 -1.3957 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6593 0.7412 -1.2414 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