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
-2.2976 0.5434 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4211 -0.3435 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1084 -0.4476 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9741 -0.0147 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2818 -0.0923 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3775 -0.5767 -1.3621 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4400 0.3510 0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4029 -0.0072 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2574 0.7806 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6737 1.4392 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8248 -1.3543 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3190 0.1541 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0162 -0.8585 -1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9262 0.4123 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3216 0.0143 0.0453 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