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
-1.6963 0.7858 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0295 -0.3732 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7808 -1.3507 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3368 -0.5209 -0.2781 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 0.3766 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9087 1.4234 0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7072 0.0457 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7706 0.5773 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2734 1.0586 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6441 1.6886 -0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8519 -1.3045 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3649 -2.2501 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8126 -0.7136 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2939 0.9666 -0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0794 -0.4097 0.8631 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