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
-2.1239 0.6110 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1032 -0.3670 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1785 -0.7094 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 -0.5210 0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9504 0.0784 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5673 0.5181 -1.5744 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3391 0.2123 -0.2531 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7834 0.0128 0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5911 1.3424 0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 1.1949 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6482 0.0098 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -1.2826 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6853 -1.1878 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6114 -0.8551 1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8750 0.9434 -0.7350 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