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
-2.3370 0.3117 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2328 -0.0288 -0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0873 0.4104 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0523 -0.4931 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3815 -0.1089 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2576 -0.9936 0.4625 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7506 1.1960 0.5716 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7977 1.2988 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9907 0.2606 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1441 -0.4400 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2337 -1.1299 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4657 0.4920 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3394 1.4609 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8507 -1.5412 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4823 1.4383 1.2527 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