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
2.7759 0.4810 0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6071 -0.3689 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7345 -1.6167 0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3906 0.1205 -0.1017 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7075 -0.7588 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8980 -0.0056 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0323 -0.0793 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6126 1.5400 0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6877 0.1435 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9922 0.3498 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3838 -1.4142 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9633 -1.3706 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8506 0.6209 -1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0502 -0.7178 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9150 0.4793 -0.4673 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