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
-2.0148 0.7504 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5825 0.7862 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.5179 0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8955 -1.1875 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8017 -0.8454 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7429 -1.6544 -1.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 0.3044 -1.6286 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9777 0.4553 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6060 -0.0375 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5382 1.7024 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0244 1.1701 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5480 1.5013 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6602 -0.9875 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1013 -2.1694 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6854 0.7294 -1.8364 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