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
    4.5484    0.3547   -0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0923   -0.3583    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905    0.0862    0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992   -0.2624   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    0.1503    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381   -0.2354   -1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018    0.1013   -1.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6399   -0.3795   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1567   -1.1640    0.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480   -0.0242    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7590   -0.5395    1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6820    0.9111   -0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1638    1.3921   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1521   -0.2163   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6528    0.3326   -0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0647   -1.4686    0.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8033   -0.1770    1.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435   -0.5550    1.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6148    1.1275    1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100   -1.3541   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163    0.2286   -1.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3787    1.2779    0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0378   -0.1990    1.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0326    0.3624   -2.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2585   -1.2859   -1.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3067   -1.2037    1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7976   -0.2791    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6351    1.9666   -0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2465    0.7771   -1.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7522    0.6335   -0.9924 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