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
2.7122 -0.4150 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3863 0.2788 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1492 1.2488 0.6398 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3772 -0.1891 -0.9256 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9137 0.3714 -0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5199 0.2664 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6333 -0.4177 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 -1.4723 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3745 0.1326 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1368 -0.4214 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9036 1.4406 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4919 -0.1738 -1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 0.7423 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0920 -0.8893 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0834 -0.5022 1.4814 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