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
   -3.1451   -0.3208    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -0.4003   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1377   -1.4905   -0.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961    0.7580   -0.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279    0.6918   -0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787    0.0651    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0219   -0.4443    1.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095    0.0160   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7116   -1.1980   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6288    0.6022   -0.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1266   -0.2512    1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664    0.2543   -1.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6754    1.7622   -0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0394   -0.4519    1.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8264   -0.8776    1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3587    0.0546    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8406   -0.8367   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249    0.9430   -0.9735 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