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
    3.1854    0.2331    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063   -0.6048    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -1.8107   -0.0234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579   -0.0028    0.1796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728   -0.7729   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086    0.0150   -0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6202   -0.3245    0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7761    1.2032   -1.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    0.0838   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9100    1.3030    0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5141   -0.1101    1.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007   -1.6719    0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1635   -1.0989   -1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239   -1.1846    1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5643    0.2129    0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    2.1230   -0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1751    1.0383   -2.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8173    1.3687   -1.4097 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