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
-2.1608 0.5642 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0137 -0.2584 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1856 -0.8454 0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 -0.6506 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9854 0.1900 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6412 0.8570 -1.0766 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3484 0.2737 0.3137 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1014 0.4189 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3480 0.2828 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8991 1.6541 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -1.1245 -1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4647 0.2884 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 -1.5404 1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5009 -1.2075 1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8857 1.0977 0.0467 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