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
-2.2902 0.3382 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3003 -0.5052 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0625 0.0552 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0601 -0.6394 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4183 -0.1324 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3636 -0.7855 0.4832 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6645 1.1259 -0.5179 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1411 -0.3163 0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8451 0.6982 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6988 1.1646 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2842 -1.5027 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6759 -0.5557 -1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3062 1.0436 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8804 -1.6352 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4800 1.6469 -0.2110 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