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
    4.2163   -0.1127   -1.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9896    0.5151    0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4986    0.5209    0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211   -0.8940    0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646   -0.9728    0.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2515   -0.2348   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6565   -0.3427    0.2712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5624    0.2830   -0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136    0.9282   -1.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0032    0.2502   -0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4851   -0.4071    0.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9308    0.9380   -1.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065    0.3804   -1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489   -1.1878   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510    0.0358   -1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050    1.5392    0.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137   -0.0919    1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    1.0829   -0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3299    1.0503    1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975   -1.3810   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.5330    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807   -2.0462    1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119   -0.5751    1.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213    0.8403   -0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0461   -0.6450   -1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -0.9253    1.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5394   -0.4794    0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1441    0.3592   -2.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4959    1.9109   -1.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8994    1.1944   -0.7669 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