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
-2.3314 -0.1681 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2132 0.5455 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0944 0.3348 0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0677 -0.2300 0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 -0.4509 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3272 -0.9828 0.8173 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5839 -0.0402 -1.1174 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4104 -1.2034 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2227 -0.0974 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2772 0.3478 0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2117 0.1360 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4806 1.6364 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 0.6340 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8719 -0.5389 1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5027 0.0772 -1.5397 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