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
    3.1315    0.5377    0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7588    0.0208    0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3291    0.1923    1.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9834   -0.6039   -0.4771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.0811   -0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -0.0563    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0571    1.2305    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7022   -0.5368    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977    1.5309    0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922    0.7101   -0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8733   -0.1122    0.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988   -1.6838   -1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433   -1.8283    0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8914    1.9076    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137    1.7128   -0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7445   -1.1179    1.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951   -1.1441   -0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3959    0.3216    0.5238 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