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
2.7568 -0.2392 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3558 -0.3257 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8679 -1.3240 -1.0705 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5465 0.7774 -0.2761 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7957 0.7519 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6037 -0.3108 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6882 -0.0578 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4398 -0.9134 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7202 -0.4820 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0914 0.8237 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2457 1.7544 -0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.7162 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3085 -1.3403 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9992 0.9873 0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2832 -0.8175 1.0606 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