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
    3.1819    0.5663   -0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212   -0.2579    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476   -1.2973    0.7111 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137    0.1514   -0.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2766   -0.5354    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214    0.1790    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605    1.2795   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8122   -0.3766    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1459    0.0673   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9850    0.5327   -1.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604    1.6123   -0.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3226   -1.5298   -0.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816   -0.6738    1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3760    1.8159   -0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.7129   -0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5524    0.4379    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6406   -0.6715    1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0660   -1.2323   -0.0577 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