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
-2.0176 -0.0323 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4096 -0.6328 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0425 -0.4054 -0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7570 0.2490 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1831 0.4312 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7404 -0.0446 -1.1274 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9563 1.1102 0.7978 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0547 -0.3892 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0770 1.0897 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4468 -0.2789 1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9229 -0.2940 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5710 -1.7362 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5427 -0.8127 -1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 0.6715 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9803 1.0745 0.7223 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