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
-2.0496 0.1311 -0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7852 0.6409 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1000 -0.5006 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0965 -0.9062 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0112 -0.3512 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1789 -0.8814 -0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8075 0.7408 -1.1376 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4437 0.8666 -1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8456 -0.0776 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 -0.8557 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2232 1.2514 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 1.3082 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6479 -1.0850 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4666 -1.7905 1.1974 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4946 1.5093 -1.1986 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