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
-1.7785 1.1883 -0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0804 -0.1028 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6403 -1.2251 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1584 -0.2020 0.5335 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2854 -0.1163 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1290 0.0475 -1.4881 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6631 -0.2101 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4344 1.1434 -1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 2.0406 -0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4518 1.3897 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6057 -1.1996 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1751 -2.1902 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7613 -1.0655 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8455 0.7552 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3939 -0.2531 -0.5096 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