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
   -4.5068   -0.2320   -0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690    0.0779    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795   -0.7184   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557   -0.5259    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5685    0.9198    0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    1.2177    1.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    0.5041    1.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    0.6056   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736    1.3873   -0.9328 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5032   -0.1214   -0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539   -0.9672    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112    0.0608   -1.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2168    0.0498   -1.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7316   -1.3035   -0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4269    0.3152   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1953    1.1588    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7176   -0.2238    1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510   -0.5779   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4436   -1.8144    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2344   -0.7612    1.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999   -1.1196    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5261    1.2806   -0.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3977    1.4928    1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.3068    1.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276    0.8899    2.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993   -1.1133    1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0066   -1.5005   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    1.1600   -2.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1829   -0.2681   -2.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9373   -0.4999   -2.1485 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