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
-1.8886 0.9063 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 0.2859 0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3163 -0.9488 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 -1.2940 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0789 -0.5011 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2318 -0.9730 -0.3973 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 0.7914 0.4364 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 0.8425 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8621 0.4290 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9738 1.9809 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0898 1.0098 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4321 0.1243 1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 -1.7458 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0736 -2.3220 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7825 1.4144 0.2590 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