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
   -3.9906    0.7770    0.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0445   -0.4267    0.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6741   -0.6715   -0.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7434   -1.8550   -0.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745   -1.6386   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336   -0.4379   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4390   -0.2525    0.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3186    0.7751   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0439    1.5549   -1.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5592    1.0095    0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718    0.2085    1.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699    2.1333    0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9642    0.4971    0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0933    1.0267    1.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5629    1.6436    0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198   -0.2008    1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896   -1.2829    1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2265    0.2078   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6017   -0.8985   -1.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847   -2.7713   -0.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5012   -2.0877   -1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -2.5614   -0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6431   -1.5858    0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3455    0.4798   -0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5278   -0.6822   -1.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2259   -0.6022    1.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7729    0.3656    2.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4909    1.7435   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6294    2.8177    1.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1233    2.7150   -0.6521 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