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
    3.2582   -0.1925   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8901    0.0491   -0.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7932    0.2949   -2.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523    0.0209   -0.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5532    0.2600   -0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714    0.1562    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3089    1.2254    0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794   -1.0654    1.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6989    0.8336   -0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212   -0.7543    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9152   -0.6939   -1.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -0.5226   -1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    1.2356   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    1.1844    1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2097    2.1638    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8507   -1.6627    1.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421   -1.7293    0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2499   -0.8031    2.1880 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