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
    4.3571   -1.4965   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860   -0.7420   -0.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9560    0.1801    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8753    1.1291    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702    0.7324    0.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1380    0.1555   -0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072   -0.2389   -0.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5022    0.6433    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2340    1.8457    0.1762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8907    0.2077    0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8126    1.1003    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2932   -1.2020    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4243   -2.1958   -1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1205   -0.7020   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3552   -1.9722    0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8921   -0.2873   -1.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2573   -1.5999   -0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9210    0.7875    0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062   -0.4191    1.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1493    1.6868    1.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608    1.9919   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286    0.0477    1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1753    1.6279    1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4160   -0.5742   -1.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086    1.0552   -1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5834    2.1556    0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8378    0.8055    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9410   -1.3572   -0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9786   -1.4466    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4733   -1.9185    0.1561 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