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
2.4605 -0.8453 -0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5229 -0.0105 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0191 0.7911 0.9615 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1607 -0.0478 0.0129 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6410 0.7766 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0883 0.6140 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4957 -0.2625 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7263 -0.3563 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0181 -1.8565 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3724 -1.0342 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4659 0.4800 1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4130 1.8545 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8398 1.1805 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5466 -0.4274 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7898 -0.8562 -0.9105 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