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
    4.8013    0.4668    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5092    0.5357    0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028    0.5584    1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601    0.6615    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9394   -0.4987   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3425   -0.4338   -1.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4098   -0.4302   -0.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451   -0.3790   -1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0065   -0.3327   -2.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.3826    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3491   -0.4334    1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1756   -0.3292   -0.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492    1.0680    0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6555    0.8341    1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1328   -0.5853    1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4610   -0.3911   -0.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5037    1.3994   -0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2597   -0.3571    1.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3307    1.4122    1.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0797    1.5919   -0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    0.8060    0.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0087   -1.4405   -0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7923   -0.4873   -1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164   -1.3773   -2.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204    0.3873   -2.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013   -0.4730    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -0.4363    2.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5181    0.7139   -0.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3755   -0.6274   -1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7755   -1.0400    0.3196 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