Monomers

2-Propenoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester

Identifiers

IUPAC name
(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enoate
InchI
InChI=1S/C13H22O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3
InchI Key
XJBRSZAYOKVFRH-UHFFFAOYSA-N
SMILES
C=CC(=O)OC1CC(C)CCC1C(C)C
Canonical SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Isomeric SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C13H22O2
Heavy Atom Count
15
Molecular Weight
210.317
Exact Molecular Weight
210.162
Valence Electrons
86
Radical Electrons
0
tPSA
26.3
MolLogP
3.1764
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 37 37  0  0  0  0  0  0  0  0999 V2000
    2.1528   -4.8096    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2337   -3.5081    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -2.6745    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0651   -3.1748   -0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929   -1.2982    0.2764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0159   -0.4458    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518    0.1584    1.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    1.3586    1.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    1.8398    3.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2860    2.3837    0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7585    1.7932   -0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1245    0.5007   -1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394    0.7749   -1.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994   -0.5198   -2.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2279    1.4372   -1.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938   -5.2713    0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315   -5.4281    0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1713   -3.0636    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626   -1.1589   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2016   -0.5556    2.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4256    0.4275    1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5855    1.0789    1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2687    1.0191    3.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680    2.7106    3.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527    2.1884    3.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895    3.2330    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7109    2.8142    0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6237    2.5831   -1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    1.6940   -0.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.0350   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105    1.4221   -2.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257   -0.9476   -3.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9619   -1.2145   -1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689   -0.2858   -3.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0294    1.3755   -2.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1066    2.5578   -1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6990    0.9706   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 12  6  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers