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
   -2.3597    1.6334   -1.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467    0.3174   -1.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3499   -0.6982   -0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9619   -0.9997   -0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -2.0196   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002   -1.6105    1.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5642   -0.4346    1.5301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8914   -0.3031    1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275   -1.3089    0.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537    0.9223    1.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219    1.9852    1.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    0.9683    0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    2.4386   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3722    1.6784   -1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3073    1.9799   -2.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0672    0.4569   -0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794   -0.1113   -2.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9460   -1.6329   -0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3224   -0.3501    0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9406   -1.3101   -2.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274   -0.0691   -0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -2.3570   -0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9291   -2.9740   -0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2249   -2.4658    1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1997   -1.4278    1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7023    2.8760    2.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963    1.9835    2.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1952    1.0181   -0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6351    1.7908    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    0.0238    1.3026 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