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
    2.9844   -1.4617    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5948   -1.3833   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1735   -2.3276   -0.9140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248   -0.3570    0.0802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5970   -0.3326   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2564    0.9064    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6405    1.7879    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619    1.1902   -0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314   -2.5082    0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934   -0.9463   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -0.9088    1.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871   -0.4096   -1.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0993   -1.2393   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3803    1.5703    1.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1027    2.6871    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6983    1.0750   -1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    0.4309    0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    2.2267   -0.1012 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