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
    3.1968   -0.0359    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0425   -0.1895   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -0.4994   -1.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359    0.0051   -0.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869   -0.1182   -0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5896    0.1812   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3725    1.1877   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019   -0.6334    1.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    0.4261    1.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5407   -1.0543    0.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9588    0.5987   -0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5409   -1.1668   -1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3838    0.5212   -1.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1894    1.8093   -1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    1.4309    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -1.3729    0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3328    0.0216    1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9877   -1.1113    1.5299 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