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
2.0185 0.5982 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4791 -0.7744 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0142 -0.8169 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7652 0.2426 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2051 0.0831 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7103 -1.0498 0.4404 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0888 1.1516 0.1521 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4479 1.0620 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0881 0.4807 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9620 1.2117 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 -1.4282 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9041 -1.2311 0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4459 -1.7735 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3594 1.2383 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0827 1.0057 0.3735 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