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
    4.9079    0.5397    0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5356    0.9292    0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784   -0.3439    0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   -0.0173   -0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6903   -1.3176   -0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7108   -1.1430   -1.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -0.4951   -0.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752   -0.2771   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2688   -0.6693   -1.7136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8256    0.3830    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4378    0.8005    1.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2187    0.5872   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1170    0.8692    2.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816    0.9879    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0526   -0.5706    0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0149    1.4924    1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    1.5185   -0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612   -0.9153   -0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7461   -0.9403    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803    0.6887   -1.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516    0.4533    0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2737   -1.7801   -1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350   -1.9959    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1249   -2.1620   -1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209   -0.5896   -2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4229    0.6498    1.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1185    1.2929    2.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3140    0.7595   -1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6409    1.5186    0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8916   -0.2535    0.1359 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