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
-2.0628 -0.1301 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 0.2988 1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2656 0.2748 1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 -0.0822 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1196 -0.1034 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0481 0.2142 0.2427 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4699 -0.4969 -1.8186 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9979 -1.2153 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1219 0.0684 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8626 0.4229 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4804 1.2977 1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 -0.4191 2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9925 0.5657 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0002 -0.3734 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 -0.3221 -2.2278 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