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
-2.1711 -0.5656 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0146 0.2020 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 0.8313 -0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0336 0.6687 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9407 -0.2109 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 -0.9394 0.7982 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3032 -0.3064 -0.5711 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6858 -1.4389 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7134 0.0867 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8017 -0.9633 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4770 -0.5308 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5027 0.9694 1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7700 1.5558 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.2496 -1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9678 -0.6080 0.1279 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