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
    2.7013    0.9252    0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102   -0.0059    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455   -1.0144   -0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -0.5340   -1.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441    0.2144   -1.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1644   -0.6695   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359   -0.0032   -0.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -0.5621    0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1861   -1.7551    0.9614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5429    0.1365    0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4431   -0.4899    1.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8113    1.5546    0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    1.9254    0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    0.5607    1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607    1.1292    1.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2056    0.6479   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724   -0.5519    0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432   -1.7120   -1.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3086   -1.7503    0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122    0.0644   -2.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024   -1.4340   -2.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.5195   -2.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9604    1.1813   -0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158   -1.1250    0.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -1.5351   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2449   -1.5226    1.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3619   -0.0004    2.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280    2.1941    1.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0193    1.9759   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7651    1.6362    0.0329 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