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
    4.5783    1.8315   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124    1.5191    0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.3265   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3145   -0.0997    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8818   -1.2948   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4522   -1.8160   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4935   -0.8895   -0.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7929   -1.2305    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609   -2.4180    0.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9220   -0.3372    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1087   -0.7460    0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7225    1.0360   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0608    2.6922    0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2172    0.9251    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4330    2.0516   -1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    1.2470    1.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556    2.3940    0.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3952   -0.4973   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5672    0.5567   -1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649    0.6939    0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3055   -0.3282    1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330   -1.0103   -1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328   -2.0898   -0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -2.2135    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6967   -2.6836   -0.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9468   -0.0710    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3343   -1.7426    0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4675    1.6687    0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8447    1.0887   -1.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6418    1.4365   -0.9084 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