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
   -3.8882    0.8052   -0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8584   -0.2521   -1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5788   -1.0476    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0725   -0.1381    1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8146    0.5576    0.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274   -0.4954    0.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4374    0.1730    0.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.6222   -0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032   -1.8661   -0.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7649   -0.0106   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932   -0.8078   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8678    1.4543   -0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5502    0.3589   -0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4517    1.0107   -1.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4243    1.7522   -0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9121    0.1534   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3284   -0.9458   -1.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -1.8869   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243   -1.5659    0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    0.5967    1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912   -0.7575    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453    1.2592    1.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630    1.2086   -0.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1419   -1.0893   -0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4628   -1.1328    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7287   -0.3617   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309   -1.8785   -0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220    1.9679   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5156    1.7764   -1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294    1.7843   -0.5642 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