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
   -4.6577    0.7245    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -0.6556    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740   -0.6489    0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704    0.2082   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117    0.0980   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5960    0.9179   -0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9160    0.7935   -0.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5991   -0.3855   -0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802   -1.4491   -0.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   -0.3957    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -1.5124    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6262    0.8591    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1299    0.9248   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4615    0.8122    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8774    1.4461    0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446   -1.2664    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2617   -1.1640   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555   -0.2395    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2063   -1.6783    0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0149    1.2858   -0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7746   -0.1372   -1.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748   -0.9723   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.4471    1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2605    1.9705   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560    0.5384   -1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1919   -2.4565   -0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6544   -1.5613    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6968    0.7822    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    0.9689    1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137    1.7455    0.0271 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