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
    3.1986   -0.5176   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.0924    0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174    0.7916    1.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -0.0836   -0.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    0.5442    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225    0.2790   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3218    1.2747   -0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0849   -1.1130   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325   -1.4659   -0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -0.7737    0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    0.2034   -0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3392    0.1732    1.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1095    1.6447    0.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550    2.2830   -0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2604    1.0989   -1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814   -1.2250   -0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   -1.4357   -1.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5593   -1.7707    0.4385 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