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
   -4.8139    1.0431   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9997   -0.2069   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5357    0.1943    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499   -1.0128    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2212   -0.5897    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2166    0.1355   -0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5810    0.4957   -0.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288   -0.3554   -0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233   -1.5893   -0.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753    0.1484   -0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    1.4533   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -0.7865   -0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5877    1.1530    0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1779    1.9692   -0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2836    1.0196   -1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0733   -0.8656   -0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322   -0.7891    0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424    0.9106    0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2531    0.6886   -0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9553   -1.6223    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206   -1.7084   -0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0869    0.1436    1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402   -1.4393    0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0347   -0.4140   -1.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3261    1.1103   -0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784    2.1481   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1809    1.8409   -0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8815   -1.8067   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4013   -0.8559    0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9391   -0.4124   -0.8607 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