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
   -3.0642    1.0140    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.0834   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4398   -1.2304   -0.4785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537    0.1677    0.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -0.8705   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5590   -0.3884    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436   -0.9873    1.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690    0.7385   -0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517    1.9813    0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6432    0.8656    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7727    1.0972   -0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357   -1.7088    0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1387   -1.2535   -1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396   -1.8085    1.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2435   -0.6557    1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1158    1.6986   -0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    0.8689   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283    0.5546   -0.8278 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