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
-2.7424 -0.0300 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3947 -0.3465 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0471 -1.5471 -0.0869 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5234 0.6281 0.2465 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7708 0.3921 0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6470 -0.3150 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7791 0.2155 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0178 -0.6306 -1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8128 1.0541 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4722 -0.2857 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2198 1.3932 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7360 -0.1342 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3354 -1.2930 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0984 1.1954 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4237 -0.2963 -1.3578 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