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
2.7962 0.2781 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5990 0.3692 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6539 1.0222 -1.2417 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3960 -0.2457 0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6864 -0.1035 -0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8971 -0.7987 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0156 -0.1289 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8889 -0.7468 1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 1.0576 1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6842 0.5020 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3471 -0.6089 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9231 0.9538 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8609 -1.8665 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9425 -0.6254 0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1104 0.9415 -0.2335 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