Monomers
Allyl acetate
Identifiers
IUPAC name
prop-2-enyl acetate
InchI
InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InchI Key
FWZUNOYOVVKUNF-UHFFFAOYSA-N
SMILES
CC(=O)OCC=C
Canonical SMILES
CC(=O)OCC=C
Isomeric SMILES
CC(=O)OCC=C
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
26.3
MolLogP
0.7355
H Bond Acceptors
2
H Bond Donors
0
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
2.8615 0.2600 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5841 -0.4319 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4814 -1.4841 -0.9759 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3912 0.0640 0.2121 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8380 -0.5783 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8889 0.2048 0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8796 0.7251 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1896 0.7999 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6060 -0.4953 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7391 0.9863 0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7587 -1.6136 0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0681 -0.6624 -1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8397 0.3483 1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6617 1.3037 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9183 0.5735 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 2 3
1 8 1 0
1 9 1 0
1 10 1 0
5 11 1 0
5 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers