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
    3.2040    0.1836    0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0839   -0.6416    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256   -1.7957   -0.1687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227   -0.1042    0.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -0.7134   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4743    0.2279    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2819    1.4366    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8761   -0.1681   -0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8255    0.9486    1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7026    0.7365   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383   -0.4272    1.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3088   -1.0549   -1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5482   -1.6324    0.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0938    2.1316    0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662    1.7061    0.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6058    0.5093    0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9639   -0.1153   -1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0396   -1.2275    0.0564 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