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
-1.8900 -0.7801 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7559 -0.6854 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3778 0.7224 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7676 1.2956 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9941 0.7368 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0251 1.4956 0.2792 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1860 -0.5930 0.5515 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9942 0.1418 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6825 -1.6335 1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 -0.9991 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1454 -1.0669 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0997 -1.2784 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2007 1.3596 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8196 2.3803 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0127 -1.0959 0.2354 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