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
    3.2742   -0.4053   -0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959   -0.1055   -0.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8927    0.1506   -2.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -0.1006   -0.2320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4218    0.1812   -0.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720    0.1108    0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1634   -0.1752    1.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8895    0.3766   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490    0.2953    0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2786   -1.4458    0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1058   -0.2478   -1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6845   -0.6141   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159    1.1993   -1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259   -0.2221    2.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411   -0.3602    1.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1631   -0.2572   -1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0017    1.4546   -0.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5606    0.1651    0.7099 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