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
-2.2607 0.4578 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3113 -0.4980 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0720 -0.0031 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0219 -0.7075 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3849 -0.2026 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3204 -0.8909 0.7482 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7538 1.0010 -0.3326 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8101 1.4734 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2086 0.5914 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4861 0.0234 1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7039 -0.5513 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4036 -1.5235 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3035 0.9455 -0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7971 -1.6607 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5307 1.5451 0.0215 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