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
    2.2323    1.6651    1.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577    0.5792    0.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1429   -0.4192    1.6713 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    0.6021   -0.3437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3465   -0.3518   -1.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409   -0.5401   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525    0.1508    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9129   -1.5640   -1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134    2.3255    2.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    2.2830    0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8773    1.2196    2.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162   -1.3666   -1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3491   -0.0611   -2.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    0.9063    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5925   -0.0269    0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -1.5592   -2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701   -1.2773   -1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -2.5655   -0.8058 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