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
    3.0576    0.9051   -0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7254    0.4354    0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1506    1.1542    0.9958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1023   -0.6975   -0.2974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1612   -1.1454    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920   -0.2694   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2864    0.8684   -0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450   -0.7720    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901    0.5820    0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635    0.4487   -1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1198    1.9949   -0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1825   -1.4060    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3386   -2.1066   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764    1.3102   -1.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1916    1.4298   -1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5187   -1.1875    1.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3760    0.0491    0.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9411   -1.5933   -0.4041 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