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
   -4.9701    0.6580   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9630   -0.3905    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819    0.2570    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6079   -0.8360    0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1794   -0.3760    0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649    0.1764   -0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5825    0.6304   -0.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6613   -0.1994   -0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -1.4182   -0.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433    0.2585   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3316    1.5059   -0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368   -0.6974   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0106    0.3918    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6868    1.5960    0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9478    0.8012   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1686   -0.7919    1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9619   -1.2568   -0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4187    0.6800   -0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5822    1.0768    1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092   -1.6115   -0.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120   -1.3765    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374   -1.1990    1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.4379    1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    0.9792   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1640   -0.6188   -1.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5913    2.2551   -0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    1.8174   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9761   -0.1764    0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7952   -1.5981    0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5598   -0.9751   -1.1568 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