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
-1.7964 0.8898 -0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4926 -0.5377 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2054 -0.5077 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8942 -0.4820 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0882 -0.0708 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9904 0.2412 -1.1424 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3432 -0.0244 0.6435 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9930 1.1483 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7360 1.6242 0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 0.8773 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3659 -0.9149 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4017 -1.1601 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7655 -0.9216 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1652 -0.7162 1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0638 0.5545 0.1846 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