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
    3.1843    0.5185    0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669    0.1432   -0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2985   -0.1159   -1.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7487    0.0597    0.0862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770   -0.3080   -0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5749   -0.3167   -0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -1.4154   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1161    0.9152    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3801    1.5898    0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0768   -0.0984    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9279    0.2201    1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080    0.3441   -1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0617   -1.3438   -1.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2628   -1.4427    0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9201   -2.3186   -0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0943    0.7430    1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1972    1.0140    0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5572    1.8118    0.2852 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