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
    2.9182    0.8061    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6579    0.0204   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825   -0.4422   -1.1858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906   -0.2264    0.9770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065   -0.9651    0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3640   -0.3796   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -1.0708   -1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8918    0.9949    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8769    1.4478    1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680    1.3849   -0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    0.0458    0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8832   -0.9039    1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2453   -2.0447    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4758   -0.6882   -1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3974   -2.0824   -1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749    1.5411    0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7233    1.6189   -0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9729    0.9433    0.3441 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