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
1.6277 -1.3228 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1194 -0.0059 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8072 1.1062 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1453 0.0480 0.9778 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2104 0.2594 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0067 0.3936 -1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6292 0.3383 0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 -1.9520 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8351 -1.8323 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5847 -1.2688 -0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4023 2.0433 0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8018 1.1281 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2146 -0.2730 -0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9462 1.3840 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7321 -0.0461 1.6248 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