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
1.2628 1.6598 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0435 0.3023 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0010 -0.5922 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1859 -0.0436 -0.7029 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1688 -0.5724 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9406 -0.7251 1.3514 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4718 -0.9347 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2923 2.1260 0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8760 1.5478 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8803 2.2192 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8491 -1.5796 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9489 -0.3172 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 -2.0239 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2664 -0.6589 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6486 -0.4077 -1.4109 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