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
   -4.4354   -0.8715    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737    0.5676    0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0111    0.7257   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8497    0.2739    0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448    0.4024   -0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571   -0.0549    0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301    0.0115   -0.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991   -0.3506    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.7744    1.7748 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2858   -0.2475   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4061   -0.5980    0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411    0.2515   -1.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5072   -1.1800    0.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2450   -1.0378    1.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8256   -1.5744    0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1940    1.1913    1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1359    0.9010   -0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8893    1.7728   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541    0.0421   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0285   -0.7589    0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8298    0.9201    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4691    1.4638   -0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6328   -0.2217   -1.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    0.5157    1.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3647   -1.1173    0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -0.9709    1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311   -0.5203   -0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025   -0.5373   -2.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    0.6369   -1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0214    1.1390   -1.5828 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