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
2.8975 0.1615 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5584 -0.4819 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4879 -1.7365 -0.1711 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3724 0.2278 -0.2105 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8728 -0.4778 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9339 0.5464 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8187 0.6142 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8478 1.2402 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3125 -0.0129 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5051 -0.3730 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9974 -1.0904 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 -1.1748 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9796 1.2386 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8335 -0.0509 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6193 1.3696 0.7347 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