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
    5.4465   -0.7824    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    0.0140    0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457   -0.7525   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7704    0.1767    0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4623   -0.5146   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471    0.4662    0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235   -0.0992   -0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    0.6779    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9158    1.8422    0.5428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3844    0.1823   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5273   -1.0409   -0.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5484    1.0536    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2906   -0.3092    0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -1.8042    0.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7092   -0.8254   -1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745    0.3607    1.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2457    0.9166   -0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549   -1.7006    0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158   -0.9552   -1.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7945    0.5321    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    1.0681   -0.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -1.4304    0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423   -0.7414   -1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5104    1.3615   -0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911    0.8188    1.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6471   -1.6340   -0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5257   -1.4528   -0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8422    1.6584   -0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3641    1.7880    0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4153    0.4412    0.4379 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