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
    3.4548    0.7079   -1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7333    1.4096   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6029    0.6617    1.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9657   -0.6520    1.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544   -0.8473    0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591   -0.6088   -0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1124   -0.8314   -0.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1549   -0.1151   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9161    0.7842    0.5509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5329   -0.3771   -0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966   -1.3179   -1.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6184    0.3982   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851    0.2856   -0.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    1.4958   -1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489   -0.0252   -1.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833    2.2770    0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    2.0050   -0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.3505    1.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    0.6429    1.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255   -0.9933    2.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5696   -1.4590    0.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2251   -1.8907    1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0421   -0.1159    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8096   -1.4079   -1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6025    0.3439   -0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0281   -1.9114   -2.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8197   -1.5539   -1.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3428    0.8107    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9558    1.2520   -0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4683   -0.3180    0.1579 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