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
    3.0056    0.1476   -1.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477   -0.2972   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9022   -0.9446   -1.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -0.0255    0.6787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844   -0.4162    1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2425    0.1676    0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179    1.0098   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989   -0.2785    0.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    1.0484   -0.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115   -0.6691   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0058    0.3405   -2.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.2386    2.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1660   -1.5335    0.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3251    1.4227   -1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1525    1.3557   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9686   -1.1324    0.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2597    0.6170    0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5488   -0.5738    1.9902 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