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
    2.9112    0.3300    0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666   -0.2389    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950   -0.7411    1.4669 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0206   -0.2434   -0.7252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -0.7650   -1.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3637   -0.1367   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -0.8730    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604    1.3056   -0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.7715   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5521   -0.5630    1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9111    0.9842    1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704   -0.5522   -2.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2841   -1.8726   -0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0093   -0.4607    0.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0036   -1.9533    0.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    1.5766   -0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8148    1.8639   -0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7256    1.5681   -1.5885 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