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
   -4.8082   -0.1075    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241    0.5031   -0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -0.0505   -0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9527    0.2685    0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5742   -0.2583    1.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.3356    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7507   -0.1569    0.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    0.3089   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    1.1303   -1.3367 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   -0.0991   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1013    0.3697   -1.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4863   -1.0540    0.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6432    0.2634    1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7521   -1.2145    0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8209    0.2231   -0.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8663    1.5986   -0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1525    0.1414   -1.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4816   -1.1428   -0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7780    0.4351   -1.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    1.3937    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6699   -0.1095    1.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3060   -0.0993    2.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -1.3759    0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1333    0.0207   -0.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510    1.4400    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1425    0.1089   -0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    1.0786   -1.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4418   -0.7746    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -1.1457    1.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7214   -2.0311    0.3397 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