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
   -5.4205    0.3574    0.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1717   -0.3971    0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9319    0.5030    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619   -0.3863    0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4526    0.3453    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6242   -0.6667   -0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8916   -0.0411   -0.2450 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0212   -0.7785   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8774   -2.0079   -0.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3493   -0.2120   -0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5187    1.0733   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5219   -1.0470   -0.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1911    1.4297    1.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1509    0.1960    0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9121   -0.0488    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1965   -0.9201   -0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0115   -1.1768    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473    1.0002    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965    1.2628   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -1.1877    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847   -0.8326   -0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652    0.7330    1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4408    1.1918   -0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6892   -1.4392    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545   -1.1704   -1.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936    1.7472   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4935    1.5593   -0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674   -0.5090   -0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4879   -2.0168   -0.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714   -1.2631   -2.0317 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