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
   -4.1839   -1.1740    1.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0234   -0.1558    0.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7678   -0.0253   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7692    0.9272   -1.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3504    0.8739   -0.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1078    1.0313    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463    0.9745    0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373   -0.1478    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6151   -1.1833    0.0044 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.1917    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3873    0.8821    0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4175   -1.4342   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5503   -0.9755    2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7661   -2.2037    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9672   -1.0114    0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3097    0.7573    1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1493   -0.6387    1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6481   -1.0595   -1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7876    0.2711   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445    1.9832   -0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011    0.9483   -2.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    0.0031   -1.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428    1.7512   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079    0.2860    1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1992    2.0167    1.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9376    1.8100    0.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4711    0.8539    0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243   -1.9564    0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8005   -2.0578   -0.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3372   -1.1546   -0.5887 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