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
-1.9662 0.7516 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7545 0.2341 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2545 -1.0061 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9237 -1.2033 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0087 -0.2782 0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1239 -0.6324 1.2368 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0075 1.0298 0.2774 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0877 1.8163 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8608 0.1996 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8780 0.6851 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0520 1.0439 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1480 -0.0010 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9766 -1.8406 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1240 -2.2256 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7905 1.4268 -0.2628 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