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
-1.9198 0.9991 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0424 -0.0856 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5799 -1.2840 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2952 0.1069 -0.8268 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2949 -0.0760 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8980 -0.4204 1.2839 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7270 0.1184 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9172 0.8545 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0151 0.9577 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5364 2.0059 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9771 -2.1202 -1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5968 -1.5052 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0121 1.1870 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0472 -0.4333 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3102 -0.3050 0.6817 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