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
    4.1416   -0.8809    0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0185    0.5338    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256    0.8390    0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152   -0.1092   -0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519    0.2148   -0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925    0.0730    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691    0.3609    0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -0.2990   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0954   -1.2354   -1.1322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479    0.0962   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8596   -0.4900   -1.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4024    1.2122    0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1652   -1.0862    1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3477   -1.1252    1.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527   -1.5513    0.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4057    1.2760    1.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    0.6108   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    1.8870    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734    0.6542    1.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0974   -1.1582   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954    0.1149   -1.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    1.3127   -1.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219   -0.2927   -1.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.8130    1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1197   -0.9217    0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5465   -1.3021   -1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8913   -0.1982   -1.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3439    2.1582   -0.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7586    1.3016    1.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4684    1.0670    0.7342 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