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
    2.8683   -0.2639    0.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297   -0.2793    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1754   -1.3791   -0.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9302    0.8579   -0.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409    0.8624   -1.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3443    0.0738   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857   -0.9693   -1.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742    0.4360    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -1.1789    1.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    0.6503    1.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160   -0.1008    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0983    0.5712   -2.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    1.9293   -1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828   -1.5464   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110   -1.2448   -2.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5365    1.4755    1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9827    0.3870    0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4572   -0.2810    1.6564 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