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
    4.0333    0.9911   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5431    0.3490   -1.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1089    0.4390   -1.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1212   -0.1695   -0.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    0.3485    0.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -0.3724    1.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2618   -0.1344    0.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4203   -0.6799    1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2857   -1.3982    2.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7292   -0.4802    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7825   -1.0338    1.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8846    0.3470   -0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2573    0.2122    0.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884    1.7451    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232    1.5107   -0.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955   -0.7312   -1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1090    0.8354   -2.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9728   -0.0561   -2.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8437    1.5090   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0785    0.0349   -1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1591   -1.2996   -0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012    0.0970    1.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8503    1.4106    0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476   -1.4344    1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824    0.0334    2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7718   -0.8991    0.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6909   -1.6447    2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467    1.0425   -0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8905   -0.3579   -1.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8537    0.8971   -0.5231 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