Monomers
Isopropenyl acetate
Identifiers
IUPAC name
prop-1-en-2-yl acetate
InchI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InchI Key
HETCEOQFVDFGSY-UHFFFAOYSA-N
SMILES
CC(=C)OC(=O)C
Canonical SMILES
CC(=C)OC(=O)C
Isomeric SMILES
CC(=C)OC(=O)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
1.0831
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
-1.8668 -0.5158 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9928 0.5239 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4298 1.5140 -0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3831 0.4122 0.4895 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1714 -0.3231 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6820 -0.8871 -1.3961 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6373 -0.4892 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9873 -1.4037 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8917 -0.1370 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4145 -0.8681 1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7517 2.2318 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4725 1.6126 -0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0478 0.2480 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7768 -1.5291 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1085 -0.3893 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
3 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers