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
    2.8033    0.8774    1.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    0.4957    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    1.3627   -0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397   -0.7064    0.4421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0330   -1.1796   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306   -0.5285   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3666   -1.2812    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899    0.8909   -0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107    0.5213    2.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7506    0.4345    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183    1.9744    1.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -1.1365   -1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188   -2.2811   -0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559   -0.8632    0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2406   -2.3339    0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    1.2418   -1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241    1.0116   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2941    1.5000    0.4414 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