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
    3.3334    0.0535    0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858   -0.4765   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224   -1.5220   -0.8292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326    0.0806    0.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275   -0.4941   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5490    0.2476   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5373    1.3287    0.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8463   -0.2432   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -0.2862   -0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    1.1612    0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454   -0.3366    1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1873   -0.4662   -1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4270   -1.5285   -0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4275    1.8814    0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950    1.6802    0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2507    0.5492   -1.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5900   -0.4478    0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7238   -1.1813   -1.2711 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