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
-2.1893 0.5904 -0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4079 -0.4557 0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0054 -0.0401 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0328 -0.7625 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3958 -0.3189 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3388 -1.0053 -0.3686 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6378 0.8748 0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9706 1.5742 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2642 0.3331 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8097 0.5569 -1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8642 -0.4775 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4784 -1.4539 -0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 0.8927 0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8538 -1.7029 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5210 1.3949 0.5936 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