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
-1.6404 -1.1628 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0498 0.1690 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 1.2212 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3237 0.2919 0.2688 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1707 0.0677 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6629 -0.2455 -1.9076 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6407 0.1883 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7407 -1.7337 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6396 -1.0535 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 -1.7666 1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2786 2.1727 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8315 1.1875 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1800 -0.4193 -1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9767 1.2533 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 -0.1701 0.3228 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