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
2.8923 -0.3243 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5946 0.3329 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5877 1.5921 0.1467 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3803 -0.3133 0.1312 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 0.4453 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9843 -0.4729 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9543 -0.3217 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3056 0.0257 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8522 -1.4147 -0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6106 0.0881 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7355 0.9037 1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9562 1.2211 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0285 -1.2390 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9230 0.4413 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8266 -0.9645 -0.4956 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