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
-2.2869 -0.0457 0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3792 0.3586 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0838 -0.3185 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9929 0.4189 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2644 -0.2648 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3479 -1.5178 0.2538 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 0.4401 0.3551 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0926 0.6666 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6956 -1.0435 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6746 -0.2001 1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2401 1.4358 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8485 -0.0457 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0674 -1.3927 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9952 1.4968 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3185 0.0118 0.0238 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