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
-1.8011 -0.9134 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5470 0.4788 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0997 0.6908 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 -0.2333 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2046 -0.0005 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0554 -0.8562 -0.3192 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7035 1.2146 0.4791 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8868 -1.1476 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3274 -0.9953 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3324 -1.6694 0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0184 0.6070 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0437 1.2205 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2648 1.6294 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4779 -1.2132 -0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6055 1.1879 0.9578 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