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
-1.8323 0.7221 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5666 -0.4968 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1253 -0.7664 0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7443 0.0191 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1957 -0.2348 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5963 -1.2113 0.7273 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 0.5729 -0.5541 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3845 1.6355 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4443 0.5817 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9517 0.8640 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0776 -1.3498 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9731 -0.3564 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2408 -1.5969 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3812 0.8529 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0533 0.7641 -0.1056 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