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
    3.2725    0.1648   -0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352    0.0815    0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479    0.0960    1.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7652   -0.0110   -0.1401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3666   -0.0865    0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6301   -0.1797   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4258   -1.2265    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942    0.8671   -0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163   -0.5329    0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7185    1.1715   -0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578   -0.1700   -1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3038    0.7882    1.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2249   -1.0162    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3777   -1.3238   -0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -1.9969    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753    0.4300   -1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    1.7029   -0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013    1.2416   -1.5055 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