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
-1.9347 -0.4855 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0683 -0.0067 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4885 0.8768 1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2431 -0.5114 0.3302 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2791 0.1289 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 1.1515 -0.9971 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6877 -0.3824 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3028 -0.7313 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4998 -1.4097 -0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6785 0.3211 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8622 1.2326 1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4871 1.2597 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6657 -1.4677 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2246 -0.1315 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2350 0.1555 0.5784 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