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
2.1146 0.1162 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9637 -0.2619 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1210 -0.1832 -1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2463 -0.6872 0.2564 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2436 0.2194 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0260 1.4311 0.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5531 -0.1646 1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9636 -0.1687 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2729 1.2325 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0059 -0.4072 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2713 -0.4625 -2.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0522 0.1434 -1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2356 -0.4300 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9639 0.6899 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4968 -1.0672 1.7783 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