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
-1.5869 1.1901 -0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9225 0.3045 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4600 -0.9530 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7546 -1.3783 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9267 -0.7315 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0757 -1.2964 0.2237 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9293 0.4928 0.9248 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1351 1.0394 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4368 2.2533 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6568 0.9790 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1645 0.8694 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7035 0.0464 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2353 -1.6148 -0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9550 -2.3990 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6601 1.1981 0.7555 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