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
    3.2359    0.2850   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0215    0.0842    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996   -0.1573    1.6181 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360    0.1510   -0.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3456   -0.0631    0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6554    0.0392    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816    0.9224    0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9115   -0.9126   -0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9903    0.9052    0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756   -0.7019   -0.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0166    0.7925   -1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.6564    1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2718   -1.0970    1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5115    0.9329   -0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4346    1.6384    1.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904   -1.4163   -1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197   -0.3832   -1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283   -1.6758   -0.6229 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