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
   -4.8871   -0.2624   -0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5267   -0.8444   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4825    0.0817   -0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0799   -0.3805   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8238   -0.4802    1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043   -0.9498    1.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    0.0321    0.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109   -0.0705    0.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3031   -1.1035    1.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862    0.9036   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1903    1.9601   -0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1481    0.7120   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9433   -0.0292   -1.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0098    0.7097   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7108   -0.9501   -0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4420   -0.8578    0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4772   -1.8453   -0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5860    0.1604   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173    1.0833   -0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932    0.3764   -0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8445   -1.3393   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233   -1.1597    1.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9065    0.5152    1.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916   -1.9230    0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533   -1.1104    2.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8265    2.6957   -1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    2.1135   -0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    0.0489   -0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6849    1.6636   -0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4984    0.2500    0.9403 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