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
-2.0554 -1.0557 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4528 0.2717 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0478 0.2838 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9870 0.4400 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 0.4475 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3514 0.5959 0.9841 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6434 0.2887 -1.1256 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1146 -1.7347 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -1.5817 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0754 -0.9544 -0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9882 1.0566 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4759 0.4736 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0697 0.1507 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8000 0.5646 1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4695 0.7536 -1.4805 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