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
-2.2655 0.0088 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2895 -0.4963 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1131 -0.3401 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9244 0.3937 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3248 0.5766 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1083 1.2601 0.7593 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8530 -0.0269 -1.0747 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2902 -0.2028 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1573 -0.4402 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1983 1.1285 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4716 -1.5693 0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4992 0.0653 1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4553 -0.8287 -1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5886 0.8899 1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -0.4186 -1.0622 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