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
    4.8079    0.1965    1.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9527   -0.4160    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -0.3042    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752   -0.9146   -0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1995   -0.8806   -0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397    0.5206   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101    0.6708    0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    0.2511   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -0.3063   -1.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0459    0.4090   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9420   -0.0276   -1.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5370    1.0529    0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8545    0.3457    0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4058    1.1941    1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070   -0.4832    2.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0340    0.1089   -0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169   -1.4680   -0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2886    0.7762    0.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3058   -0.8215    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362   -0.2615   -1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239   -1.9093   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0785   -1.5035    0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151   -1.4443   -1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176    1.1438   -0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850    0.9306    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9988    0.0633   -0.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6220   -0.4982   -2.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3624    0.4088    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9975    2.0164    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490    1.1500    1.7157 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