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
    3.9780   -1.2821    0.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499   -0.8890   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7781    0.5679   -0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8784    1.1336   -1.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106    0.5455   -1.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    0.7437   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140    0.1851   -0.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    0.2636    0.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804    0.8416    1.8298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6983   -0.3025    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1991   -0.9086   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141   -0.1735    2.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4747   -2.2618    0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134   -0.5434    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4545   -1.3040    1.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053   -1.2227   -1.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1049   -1.4843   -0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7468    1.1066   -0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    0.7699    0.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    2.2220   -1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3306    1.0468   -2.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659    1.1323   -2.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791   -0.5021   -1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.8503   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3171    0.2793    0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1954   -1.3063   -0.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -1.0248   -1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4395   -0.7449    2.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8540   -0.4610    2.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7106    0.9177    2.1650 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