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
-2.3834 0.0694 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2347 0.6025 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0457 -0.2593 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0294 0.2740 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2181 -0.5583 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2310 -1.7746 0.2239 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3535 0.0202 1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2729 -1.0138 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 0.5101 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3225 0.3279 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4628 0.5024 -1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0184 1.6658 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0911 -1.3265 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0593 1.3229 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2742 -0.3627 0.7682 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