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
2.8493 0.0651 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4331 0.2021 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0496 1.2001 -0.6946 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4622 -0.7308 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8640 -0.6787 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6781 0.4106 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7352 0.1394 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4712 0.5365 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0290 0.6358 1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1645 -0.9663 0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9180 -0.6536 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3321 -1.6484 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 1.4767 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4052 0.8989 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0152 -0.8873 1.3685 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