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
    3.2647   -0.2419    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9996   -0.3735   -0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604   -0.7472   -1.6673 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7573   -0.1032    0.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3746   -0.2665   -0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    0.0533   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5529   -0.8880    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8909    1.3973    0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523   -1.2337    0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1082    0.2832    1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9783    0.3799   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953    0.4257   -1.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038   -1.2880   -1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5072   -0.6845    0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4062   -1.8909   -0.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481    2.0444   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443    1.3433    1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9657    1.7905    0.9752 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