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
    3.3116    0.0186    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    0.3876   -0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    1.0425   -1.6529 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993    0.0229    0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3834    0.4166   -0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6058   -0.0154    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669    0.9071    0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9488   -1.4346    0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156    0.1964    1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5342   -1.0559   -0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1202    0.6237   -0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3258    0.0244   -1.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3837    1.5134   -0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752    1.9781    0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3702    0.6487    0.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0976   -2.1119    0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3662   -1.4592    1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -1.7027   -0.3756 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