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
   -3.2386   -0.0629    0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9946    0.5895   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1096    1.6605   -0.7595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7332    0.0992    0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    0.7448   -0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317   -0.0463    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554    0.4986    0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727   -1.4585   -0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0112    0.0977   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1253   -1.1622    0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5919    0.4322    1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5133    1.7748   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638    0.7927   -1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209   -0.1041    1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4408    1.5266    1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1528   -1.5902   -1.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489   -2.1881    0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549   -1.6041   -0.7013 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