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
    4.6519    0.2039    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8902    0.3246   -1.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    0.6297   -0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179   -0.5145   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703   -0.1787    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580   -1.1950    0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972   -0.7795    1.1233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892   -0.5672    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471   -0.7405   -1.0897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9359   -0.1397    0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3270    0.0514    1.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8887    0.0860   -0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983   -0.8274    0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2089    0.8907    0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    0.4698    0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2620    1.1050   -1.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -0.6464   -1.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615    0.7528   -1.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3838    1.5882   -0.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8822   -1.4135   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048   -0.6734    0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.7935    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0846    0.0292   -0.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756   -1.2396    1.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3046   -2.2212    0.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3362    0.3727    1.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6744   -0.0980    2.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3423    0.1328   -1.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6335   -0.7011   -0.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3574    1.0890   -0.5229 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