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
    4.3446    0.7016    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.3058   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5823   -0.2817   -0.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983   -0.6488    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3180   -0.5826   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.9283    1.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956   -0.8800    0.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5099    0.2739    0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387    1.3307    0.2209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9010    0.3225   -0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6273   -0.7737   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5307    1.5790   -0.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2826    1.2707    0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5360    1.4489    0.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039    0.1513    1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6089   -0.0316   -1.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3419   -1.3388   -0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529   -0.9316   -1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033    0.7871   -1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301    0.1177    1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0442   -1.6524    0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206   -1.2604   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1846    0.4624   -0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127   -0.1766    1.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379   -1.9126    1.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1896   -1.6943    0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6898   -0.7671   -0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    2.4693   -0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5748    1.6943   -0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5512    1.5570   -1.6643 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