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
-2.3001 0.6506 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3876 -0.5601 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0555 -0.2088 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0022 -0.4083 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3130 -0.0625 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4449 0.4225 1.3956 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4836 -0.2454 -0.4881 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0755 0.4366 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7218 1.5706 -0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7821 0.8372 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8280 -1.3038 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3147 -0.9570 -1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0606 0.2031 1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9406 -0.8299 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2205 0.4552 -0.3542 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