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
    3.3172    0.4153    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0799   -0.3953    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1772   -1.6263    0.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577    0.2036    0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2914   -0.6198    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283    0.1560    0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215    1.4555   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129   -0.5804    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328    1.2511    1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756   -0.1586    0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5516    0.8051   -0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796   -1.0942    1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455   -1.4341   -0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.9871   -0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    1.9742   -0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4340   -0.2561    0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6884   -1.6682    0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3624   -0.4150   -0.9204 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