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
    2.9641   -1.1585   -0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6796   -0.4049   -0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748   -0.4937   -1.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334    0.3995    0.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0533    1.1039    0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689    0.2990    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2954   -1.0162    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5460    1.0703    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9047   -1.7740    0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8159   -0.4681   -0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352   -1.8335   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2215    1.7332    1.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046    1.8602   -0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -1.6768    0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2544   -1.5445    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902    1.6567    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3842    0.4179   -0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350    1.8293   -0.8067 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