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
-2.3697 0.1068 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 0.1310 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -0.4305 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0392 0.3060 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3251 -0.2454 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4107 -1.4317 0.5739 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4912 0.5067 0.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2365 0.7044 0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7275 -0.9041 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 0.6488 1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 1.1807 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7043 -0.4896 -1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -1.4453 0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0141 1.3291 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3943 0.0331 0.0428 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