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
    3.2004    0.0890   -0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859   -0.5634    0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1247   -1.4767    1.2719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023   -0.1803    0.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700   -0.7366    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213   -0.0240   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5141   -0.6725   -0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153    1.4351    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7588    0.5244    0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7840   -0.6015   -0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8921    0.9471   -0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488   -1.8313    0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989   -0.5703    1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477   -1.7428   -0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3270   -0.1088   -1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570    2.0140   -0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585    1.7238    0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0896    1.7749    1.0372 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