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
2.1974 0.7483 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4110 -0.5416 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -0.2394 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0106 -0.4280 -0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -0.1358 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3243 -0.3363 -0.8873 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7280 0.3714 1.1645 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2630 0.5998 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7728 1.3231 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0209 1.3658 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4954 -0.9504 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9033 -1.2511 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1857 0.1537 1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8034 -0.8196 -1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6483 0.1401 1.5166 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