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
    2.7424   -0.6245    0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278    0.0736    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -0.1009   -1.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7743    0.9630    0.7776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847    1.6333    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2751    0.7135   -0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992    0.7338   -1.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9910   -0.2161    0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2557   -1.2761    0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902   -1.1658    1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064    0.1505    1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558    2.3566   -0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7817    2.2386    0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664    1.4170   -2.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2397    0.0490   -2.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7266   -0.8295   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243    0.3404    1.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588   -0.8808    0.9381 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