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
   -3.8279    0.8344    1.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714    0.3550    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854    1.5830   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943    1.2810   -1.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    0.2657   -1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4045    0.7669    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200   -0.1553    0.3307 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454   -0.6038   -0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760   -0.1525   -1.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3726   -1.5580   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187   -2.0025    1.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3408   -2.0067   -1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    1.5268    2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1434    0.0098    2.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6633    1.4555    1.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7177   -0.1107   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3277   -0.3915    0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2098    2.2969   -0.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7991    2.0435    0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189    2.2401   -1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    0.9707   -2.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0047    0.0541   -2.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365   -0.6681   -0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1561    0.9554    0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.7400   -0.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1644   -2.7216    1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134   -1.6845    1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8834   -2.8565   -1.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3211   -2.2830   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4575   -1.1839   -1.9792 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