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
   -4.4767   -0.3452   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1550    0.8471    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213    1.2657    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8282    0.0938    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3646    0.4365    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006   -0.6975    0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8447   -0.6377    0.4733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6332   -0.4093   -0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9682   -0.2329   -1.6619 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0804   -0.3686   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7080   -0.1377   -1.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8640   -0.5787    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069   -0.4061   -1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188   -0.2370   -0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4388   -1.2988    0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8677    1.6678    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3219    0.5807    1.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052    2.1519    0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6202    1.4656   -0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9506   -0.0564    1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -0.7975   -0.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1635    1.2906    0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964    0.8626   -0.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -1.0135    1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1508   -1.5902   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8043   -0.0942   -1.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    0.0216   -2.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2332   -0.1836    1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945    0.0452    0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1222   -1.6442    0.7856 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