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
2.8859 0.0603 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5610 -0.5580 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4664 -1.8044 0.1501 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3831 0.1687 0.0848 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.4190 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8887 0.6676 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8621 0.6271 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8303 1.0643 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5244 -0.5684 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4237 0.1542 0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9322 -0.9182 1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1547 -1.1745 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8256 1.4846 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6287 1.4019 -0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8988 -0.1860 -1.2742 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