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
    3.0857   -0.3181   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6374   -0.2919   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.3750   -1.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7561   -0.9872    0.2814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6175   -1.1038    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189    0.1162    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3101    0.1327    1.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3608    1.3340   -0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942   -1.2707    0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3305    0.5768    0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161   -0.3119   -1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918   -1.6430   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9076   -1.8589    0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814   -0.7445    2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9030    0.9997    1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5482    2.0224   -0.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124    1.9213   -0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870    1.0520   -1.5318 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