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
-2.4135 0.1770 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1856 -0.2753 0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0604 0.3172 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0260 -0.4317 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2310 0.1597 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4087 1.4041 -0.8251 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2466 -0.6354 -1.2917 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8615 1.0758 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2114 -0.5957 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1594 0.4678 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2795 0.1302 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0998 -1.3839 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1741 1.3903 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9273 -1.4946 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1365 -0.3053 -1.6161 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