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
    3.2466   -0.2308    0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0532    0.3484   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1854    1.2807   -1.0208 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7647   -0.0990    0.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3277    0.5004   -0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6163   -0.0944   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709   -0.6715   -1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0835   -0.0543    1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0437   -0.4950   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811    0.6007    1.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -1.1053    1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0902    0.4021   -1.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3246    1.5991   -0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0896   -0.7373   -2.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3140   -1.1032   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9743   -0.7078    1.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4315    0.9803    1.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119   -0.4130    1.8535 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