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
   -4.6515   -0.9808    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625    0.2870   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5094   -0.0730   -0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8217    1.1699   -0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557    0.9721   -1.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    0.4966   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7311    0.2937   -0.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768   -0.1412    0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003   -0.3638    1.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071   -0.3568    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6006   -0.1530   -0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   -0.8291    1.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3667   -1.8299   -0.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3577   -1.2478    1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7482   -0.9012    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4377    0.6804   -1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0192    1.0113    0.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0850   -0.4000    0.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4411   -0.8862   -1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2812    1.6224   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612    1.9410   -0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924    1.9196   -1.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2305    0.2530   -2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2031    1.1781    0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0802   -0.5176    0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0863    0.1893   -1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6574   -0.3293   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4402   -1.8507    1.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857   -0.9593    1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638   -0.1949    2.5386 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