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
    3.2108    0.0555    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282   -0.5326   -0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879   -1.4126   -1.4031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6909   -0.1230   -0.0448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174   -0.6835   -0.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6233   -0.0103    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4961   -0.6642    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7341    1.4657    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8912   -0.7578    0.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190    0.8049    0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    0.5634   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141   -1.7812   -0.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6050   -0.5241   -1.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2865   -0.1346    1.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031   -1.7243    1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055    1.6644   -1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4945    1.8882    0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    1.9061    0.1818 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