Monomers

Hexyl methacrylate

Identifiers

IUPAC name
hexyl 2-methylprop-2-enoate
InchI
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
InchI Key
LNCPIMCVTKXXOY-UHFFFAOYSA-N
SMILES
CCCCCCOC(=O)C(=C)C
Canonical SMILES
CCCCCCOC(=O)C(=C)C
Isomeric SMILES
CCCCCCOC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.686
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    4.8957    0.9473   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683   -0.2413   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575    0.1835   -0.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -1.0277   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2405   -0.7972   -0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3109    0.2563    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6841    0.5359    0.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048   -0.3704    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -1.5475    0.4484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1058   -0.0426   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0312   -0.9624   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141    1.3343   -0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9283    0.6489    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    1.6825    0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7509    1.4157   -1.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -1.0716   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9476   -0.5514    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2127    1.0357    0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210    0.5243   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0499   -1.8924   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8007   -1.3585    0.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3330   -1.7325   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011   -0.4870   -1.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2122    1.2239    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1306   -0.0340    1.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8349   -1.9846    0.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0577   -0.7121   -0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3398    1.4445   -1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5378    1.5461   -0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8050    2.0344   -0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  3
 10 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers