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
-2.1060 0.7095 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8475 0.3470 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2792 -0.9071 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8858 -1.0462 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8640 0.0008 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7447 1.2035 -0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1367 -0.3038 -0.9365 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7891 -0.1514 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8374 0.8947 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 1.5927 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1899 1.2117 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1426 0.1244 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 -1.8178 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 -2.0897 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9254 0.2318 -0.5962 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