Monomers

1,1-Dimethyl-2-acetoxyethylene

Identifiers

IUPAC name
2-methylprop-1-enyl acetate
InchI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h4H,1-3H3
InchI Key
MNJRLZXXSZEIHD-UHFFFAOYSA-N
SMILES
CC(=COC(=O)C)C
Canonical SMILES
CC(=COC(=O)C)C
Isomeric SMILES
CC(=COC(=O)C)C
Resources

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
1.4732
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
   -2.7087    0.8457   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3820    0.3708    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3531    0.2247   -0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700   -0.2237   -0.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9838   -0.4033   -1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9309   -0.1565   -2.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.8913   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2309    0.0527    1.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4954    0.5045    0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256    1.9523   -0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396    0.3775   -1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073    0.4413   -1.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9908   -1.3744    0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9223   -0.0317   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7437   -1.5695   -1.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1474    0.2326    2.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058   -1.0090    1.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749    0.6573    1.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  7 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