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
    1.1603    2.6498   -0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    1.1766   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7244    0.3246   -0.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3258    0.7000   -1.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6019   -0.7065   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270   -1.2314    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3514   -2.1697    0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.7097    1.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    3.2020   -1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872    3.0775    0.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2622    2.7551   -0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5640   -0.8733   -1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666   -1.2046   -1.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536   -2.5952    1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   -2.5690   -0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453    0.3356    1.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.7841    2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3343   -1.3776    1.2850 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