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
    3.1648    0.0071    0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0682    0.3786   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432    0.9570   -1.2576 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7293    0.1220    0.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3092    0.4705   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013    0.0303   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295    0.9270    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650   -1.3902    0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5435   -1.0047    0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7885   -0.0063    1.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0354    0.6940    0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2547   -0.0720   -1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498    1.5435   -1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4720    0.6599    0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657    1.9785   -0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2110   -2.0674   -0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7972   -1.5465    1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9174   -1.6812   -0.1076 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