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
2.0226 0.5895 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0021 -0.4346 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3205 -1.5784 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3250 -0.2438 0.4875 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2369 0.3145 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8090 0.6360 -1.5275 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6654 0.5372 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8376 1.0855 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9481 1.3460 -0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0452 0.1884 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6043 -2.3585 -0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3445 -1.7470 -0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 0.2181 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9721 1.5923 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3115 -0.1453 -0.6714 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