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
    4.8973    0.5681   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097   -0.5794   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5845   -0.4967   -0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7285    0.5003    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    0.4882   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.8252    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236   -0.8680   -0.3353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6555   -0.0302    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975    0.7810    1.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0746   -0.0446   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5181   -0.8778   -1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0570    0.8745    0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806    0.6692    0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4347    1.5640   -0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5123    0.4987   -1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4466   -1.4647   -0.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950   -0.8705    1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.5105   -0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637   -0.3808   -1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0466    1.5521    0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691    0.3137    1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2809    1.3522    0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3531    0.5766   -1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269   -1.1118    1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1649   -1.6120   -0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079   -1.5525   -1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5338   -0.9129   -1.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9057    1.0685   -0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5671    1.8687    0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4593    0.4620    1.3957 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