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
-2.2310 -0.1931 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3317 -0.2015 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0642 -0.2607 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.6722 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3270 0.5589 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1903 1.4350 -0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6783 -0.5362 0.7909 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6607 0.1036 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 -1.2079 0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0339 0.5546 0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5060 0.6821 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5310 -1.1652 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 -1.1132 0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6970 1.5356 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6513 -0.8643 0.8697 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