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
    3.2604    0.3323    0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.3975    0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0699   -1.4615    1.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7743    0.0705    0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667   -0.6973    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -0.1022   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3784   -0.7875   -0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057    1.2726    0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315    1.4184    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834    0.0175   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818    0.1170    1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -1.7022    0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4378   -0.7452    1.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2848   -0.3348   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350   -1.7845   -1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170    1.6117   -0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650    1.2179    1.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1747    1.9549    0.1308 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