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
-2.2781 0.5670 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2580 0.0695 0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1246 0.2263 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9229 -0.8009 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2748 -0.6777 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0085 -1.6829 -0.8067 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8238 0.5509 -1.0174 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1740 0.9074 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6010 -0.2505 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8509 1.3754 -1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4499 -1.0300 0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3316 0.5959 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4150 1.2443 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5494 -1.7808 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8243 0.6861 -0.8054 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