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
-2.1721 0.2078 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8906 -0.4242 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0602 -0.8466 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1309 -0.4628 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8819 0.5080 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 1.0764 -1.0464 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1919 0.8776 0.3807 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4889 -0.4872 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9770 1.2250 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9365 0.1652 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4505 0.1762 -1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2998 -1.3526 -1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5054 -1.6075 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5866 -0.9127 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4978 1.8575 0.2742 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