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
    3.0212    0.1537   -1.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -0.1529   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3610   -1.3470   -0.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9501    0.7628    0.1639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496    0.5765    0.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3991    0.1041    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4899    0.9120   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361   -1.1587   -0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213   -0.0719   -0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253    1.2161   -1.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1715   -0.5406   -1.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1809   -0.0679    1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210    1.5961    1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177    1.8685    0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915    0.6562   -0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2152   -2.0642   -0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0459   -1.0773   -1.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6277   -1.3657   -0.9399 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