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
1.8167 2.2376 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2734 0.8598 -0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0007 0.0085 -1.3552 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0511 0.4681 -0.3152 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4438 -0.8664 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7834 -1.0111 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9566 -1.8787 1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5385 2.8841 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9391 2.2321 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 2.6323 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2797 -1.5095 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4469 -1.1968 -1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6193 -0.4056 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9477 -1.9756 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1405 -2.4788 1.5157 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