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
   -3.2346    0.2747   -2.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8347    0.3506   -1.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563    0.8742   -1.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    0.9654    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1532   -0.3590    0.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2170   -1.3487    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0921   -0.8899    0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511   -0.6750    1.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876   -0.8937    2.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389   -0.1811    1.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454    0.0159    2.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687    0.0648    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3438    0.1527   -2.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0150    1.2362   -3.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7845   -0.5839   -3.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5519    0.9880   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8971   -0.6766   -0.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542    0.2028   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3132    1.8814   -1.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8147    1.6323    0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0864    1.4088    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -0.7951    0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890   -0.2418    1.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2452   -2.3299    0.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4898   -1.5430   -0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383   -0.1797    3.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7583    0.3760    2.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593   -0.7048   -0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4706    1.0393   -0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567   -0.0606    0.2659 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