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
    4.4294    0.8208    0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    0.4085   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832   -1.0365    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -1.4024   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -0.5698   -0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224   -1.0355   -1.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8251   -0.3194   -1.0802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246   -0.2679    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1058   -0.8885    1.0814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447    0.4945    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1902    1.1499   -0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5010    0.5491    1.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880    0.6870    1.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6367    1.8788    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3193    0.2130    0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019    1.0861    0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    0.5970   -1.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422   -1.1824    1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7713   -1.6367   -0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9094   -1.3062   -1.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4663   -2.4679   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789    0.5027   -0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1816   -0.5975    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405   -2.1276   -1.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3497   -0.8938   -2.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6605    1.1358   -1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0963    1.7369   -0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5522    1.6172    1.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0081    0.0150    2.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5201    0.1010    1.3562 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