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
-1.9400 -0.8363 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 0.2184 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5057 1.4505 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1970 -0.0717 0.7383 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3361 -0.0486 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2157 0.2599 -1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 -0.3756 0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7816 -0.3792 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4286 -1.4525 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4058 -1.4879 -1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 2.2312 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4900 1.7125 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6131 -0.2979 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0598 -1.3411 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3960 0.4183 0.2101 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