Monomers
2-Pentenoic acid
Identifiers
IUPAC name
(E)-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-ONEGZZNKSA-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
-1.9287 0.6272 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4809 -0.7868 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0382 -0.8569 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 0.1930 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1608 0.0768 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6082 -1.0739 -0.6138 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9948 1.1947 -0.3771 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3105 1.1159 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 1.2070 -0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0084 0.6344 0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0438 -1.2259 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6403 -1.4211 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3586 -1.8363 -0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3452 1.1679 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9999 0.9839 -0.2961 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