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
    4.3867    0.6830    1.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320    0.0766    1.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616    0.1858    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -0.4145   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9492   -0.2918   -1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4072   -0.9005   -1.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4112   -0.2287   -1.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7316   -0.6182   -1.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070   -1.5820   -1.8294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7919    0.0212   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0323   -0.4082   -0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5469    1.1614    0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772    1.5668    1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1690   -0.0764    1.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    1.0488    2.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -0.9876    1.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.5909    2.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.3463   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    1.2566   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3135   -1.4804    0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5287    0.0922    0.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008    0.7534   -1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694   -0.8646   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6745   -0.9275   -2.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971   -1.9545   -1.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8689    0.0175    0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2467   -1.2356   -1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867    1.2233    1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5605    0.9453    1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5077    2.1206    0.0412 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