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
-2.0890 0.8940 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4044 -0.3364 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0288 -0.0924 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9490 -0.8161 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3562 -0.5681 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2812 -1.2323 0.3705 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7291 0.4498 -1.0185 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1521 0.6018 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6707 1.1549 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 1.7098 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5985 -1.1734 0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9617 -0.5281 -1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3293 0.6938 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6515 -1.6048 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6443 0.8476 -1.0051 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