Monomers

2-Methylallyl acetate

Identifiers

IUPAC name
2-methylprop-2-enyl acetate
InchI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
InchI Key
IVKYUXHYUAMPMT-UHFFFAOYSA-N
SMILES
CC(=O)OCC(=C)C
Canonical SMILES
CC(=C)COC(=O)C
Isomeric SMILES
CC(=C)COC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.3535   -0.2313   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626    0.5024   -0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453    1.6855   -0.8217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -0.0546   -0.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3745    0.6317   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5131   -0.2112    0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -1.4228    0.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8860    0.2996    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353    0.3378   -0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279   -0.2657    0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -1.2526   -0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334    1.5731    0.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600    0.9524   -1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1007   -2.0883    0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -1.7776    0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6608   -0.4871    0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0471    0.7551   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0949    1.0535    0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  5 12  1  0
  5 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers