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
    5.1968    0.0896    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520   -0.7717    0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7008    0.0773    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177   -0.8428    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060   -0.0948    0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -1.1143    0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1888   -0.5591    0.5735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674    0.1430   -0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787    0.3068   -1.5361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0038    0.7086   -0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7494    0.5554    0.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5147    1.4648   -1.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1590    0.9794    0.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    0.3787   -1.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596   -0.5382    0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139   -1.4708   -0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9867   -1.2940    1.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133    0.7538   -0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    0.7089    1.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4695   -1.6043   -0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5887   -1.3890    1.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.5526   -0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2136    0.5667    1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7701   -1.6684    1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451   -1.8956   -0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3790    0.0075    1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7301    0.9756    0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8379    0.7560   -2.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7102    2.1166   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3727    2.1015   -1.3296 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