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
   -4.4315    0.8387    0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872    0.4967   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8712   -0.9756   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5827   -1.4832   -0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3754   -0.7849   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8563   -1.3645   -0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575   -0.8216   -0.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    0.5278   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693    1.2694   -0.9009 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5683    1.0558    0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    2.3303    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5160    0.1374    0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0224   -0.0848    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0315    1.4243   -0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3112    1.3760    1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    0.8153   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3179    1.0551    0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6915   -1.5915   -0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8499   -1.1718    0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5168   -1.4262   -1.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -2.5507   -0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3644   -1.0814    1.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4622    0.2981   -0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238   -1.1616   -1.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163   -2.4709   -0.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8027    2.7224    0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1816    3.0041   -0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155    0.6886    1.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9261   -0.5053    1.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325   -0.5661    0.0909 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