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
-2.8825 -0.4702 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6090 0.2742 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6645 1.5084 -0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3736 -0.3177 0.1998 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7801 0.5004 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0226 -0.2679 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9446 -0.2886 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5293 -0.2453 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7417 -1.5565 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4557 -0.0911 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 1.0792 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7272 1.2734 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2116 -0.8013 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8880 -0.8307 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8228 0.2338 -1.5050 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