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
-2.4294 -0.0877 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1945 -0.1265 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0321 -0.4346 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0525 0.4010 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2226 0.0685 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2816 -1.0139 1.3079 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3164 0.9165 0.7694 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2128 -0.6849 -0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7981 0.9472 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2477 -0.4987 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0582 0.8869 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2755 -0.8961 -1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0927 -1.3595 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9706 1.3304 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2477 0.5513 0.8071 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