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
-2.2012 -0.5004 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9499 0.0775 -0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2042 0.9256 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0077 0.7576 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9372 -0.2628 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 -1.1840 -0.7492 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2529 -0.3106 0.5679 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9166 -0.8877 0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9835 0.2796 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5568 -1.3122 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3043 0.6829 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3991 -0.7795 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7545 1.8000 0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4047 1.5098 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9966 -0.7959 0.0411 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