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
   -4.6009   -1.4919    0.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2173   -0.9443    0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7808   -0.1510   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520    0.3326    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8215    1.1517   -1.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5708    1.5828   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4109    0.4381   -0.5678 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7460    0.5911   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596    1.7810   -0.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389   -0.5328   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016   -1.7693   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0510   -0.2737    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2508   -0.7861    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0281   -1.5622    1.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6348   -2.5174    0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1573   -0.2811    1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729   -1.7466    1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260    0.6988   -0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6979   -0.7687   -1.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.5319    0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    0.9399    0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    2.0335   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7778    0.5502   -2.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989    2.1398    0.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    2.2358   -1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653   -1.9909   -0.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8289   -2.6284    0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3499    0.7685    0.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1934   -0.6097    1.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -0.8877   -0.3549 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