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
-2.8413 0.4594 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5691 -0.2162 -0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5428 -1.0342 -1.7007 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3987 0.0123 -0.0458 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 -0.6336 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8481 -0.1390 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 0.4840 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9540 0.6615 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7201 -0.0966 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9058 1.4761 -0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1538 -0.3981 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7254 -1.7353 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6354 -0.3257 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1548 0.6680 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6455 0.8172 0.9811 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