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
2.0121 1.3938 -1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0575 0.6311 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5424 1.1571 0.7886 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6793 -0.6738 -0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2271 -1.3962 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5603 -0.7551 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1294 -0.3492 1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6710 0.7504 -1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5586 2.1589 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3774 1.9516 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3633 -2.4394 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1899 -1.4411 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0779 -0.6262 -0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0989 0.1063 1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6312 -0.4679 2.4210 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