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
    3.3357   -0.4466    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796    0.3713    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1769    1.6297    0.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337   -0.2324    0.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2953    0.6026    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692   -0.1496    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842   -1.4779    0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8339    0.6331    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311   -1.3208    0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1732    0.1631    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629   -0.7290   -1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360    1.1683    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2491    1.3233   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4947   -2.0593    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6334   -2.0102    0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2027    0.7726   -0.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7003    1.6391    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5941    0.1227    0.8569 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