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
    2.9510    0.6730    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6551   -0.0406    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855   -0.5131    1.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9354   -0.2229   -0.8813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2944   -0.8972   -0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -0.3029   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9320   -1.0432    0.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8515    1.0925   -0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8836    1.6341    0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556    0.0376    0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    0.8376   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2482   -1.9706   -0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141   -0.7877   -2.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164   -0.6649    1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6314   -2.0699    0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8223    1.0294   -0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0811    1.4768    0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    1.7319   -0.8609 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