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
   -4.4706   -1.3125   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1055   -0.0411    0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6613   -0.0246    1.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7729   -0.1480   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047   -0.1369    0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4732   -0.2645   -1.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516   -0.2713   -0.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5997    0.7446   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9547    1.7516    0.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0263    0.6060   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7472    1.5621    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6978   -0.6129   -0.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9330   -1.4430   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5602   -1.2531   -0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3603   -2.1796    0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2740    0.8195   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7394    0.0105    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925   -0.8373    1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    0.9291    1.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722    0.7319   -0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534   -1.0613   -0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0743   -0.9401    0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1183    0.8452    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1019    0.5220   -1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787   -1.2350   -1.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811    2.4643    0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8326    1.4951    0.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517   -0.5866   -1.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -0.8377   -0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0092   -1.4683   -0.4339 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