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
    2.9394   -0.3447   -0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019    0.1259    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245    1.2621   -0.3593 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435   -0.5936    0.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122   -0.0725    1.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3740    0.2266   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8185    1.4381   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7334   -0.8829   -0.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007    0.2234   -1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7098   -0.1848    0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559   -1.4248   -0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370    0.8445    1.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307   -0.8655    1.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513    2.2449    0.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4436    1.6299   -1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3851   -1.6235   -0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617   -1.4463   -1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3282   -0.5567   -1.7836 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