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
    5.1056   -1.1351   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065   -0.2166    0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -0.5126   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    0.4901    0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2935    0.2592   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941    1.3156    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175    1.3044   -0.1588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231    0.2079    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391   -0.7897    0.6902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1166    0.1489   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    1.1626   -0.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9066   -1.0609   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995   -1.1077    0.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.7692   -0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7014   -2.1421   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.2626    1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    0.8535    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -1.5454   -0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -0.3310   -1.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.4359    1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9511    1.5301   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3661    0.3823   -1.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -0.7202   -0.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0912    2.2956    0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895    1.1395    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1296    2.0704   -1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6920    1.1105   -1.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8688   -1.0607   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3335   -1.9342   -0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0758   -1.1186    1.0529 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