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
-2.3616 0.3385 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3514 -0.6052 0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 -0.4311 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0416 -0.0538 0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 0.1101 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4642 -0.1104 -1.3514 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 0.5040 0.5751 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2865 -0.2133 -0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9373 0.7302 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5519 1.2020 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3394 -0.4275 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 -1.6568 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0589 -0.6266 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9914 0.1496 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2021 1.0904 0.1382 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