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
   -4.0217    0.3329   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2612   -0.9561    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942   -1.0049   -0.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565    0.1138   -0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6672    0.0358    1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610    1.1583    1.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020    1.0646    0.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348   -0.0256    0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386   -0.9874    1.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106   -0.0844   -0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2450   -1.0999   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6959    1.0262   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9445    0.2568    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3289    0.3634   -1.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4767    1.2247    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9242   -1.7684   -0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0785   -1.1104    1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277   -1.0847   -1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -1.9776   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6035    1.0689   -0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799    0.0558   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738    0.1420    1.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579   -0.9519    1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263    2.1307    1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5030    1.1850    2.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0338   -1.9089    0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1146   -1.1322   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8065    1.6355   -1.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173    1.7212   -0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1518    0.5768   -2.1295 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