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
-2.1569 0.8866 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 -0.0087 0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3263 -0.9523 1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1918 0.3111 -0.3026 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3906 -0.2929 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4319 -1.2709 0.6979 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6754 0.1183 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0719 0.8881 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1345 0.4878 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 1.8741 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6678 -1.6850 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3676 -1.0671 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6269 1.0991 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4034 0.2241 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0445 -0.6122 -1.4551 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