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
    3.7535   -1.8809   -1.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374   -0.6196   -1.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361    0.2469   -0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1656    1.4398   -0.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388   -0.2024   -0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5466    0.6151   -0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4501    0.7827   -1.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2819    2.0218   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5035    2.0310   -1.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6401    1.9660    0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5896    0.5221    1.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328    0.1340    1.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0844   -1.3224    1.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4108   -2.2362    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6821   -1.6692    2.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5629   -2.5303   -1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568   -2.2901   -1.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0296   -0.2543   -1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687    1.6274    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534    0.9936   -2.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1494   -0.0402   -1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7299    2.9418   -1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7335    0.9908   -2.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2694    2.6090   -2.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574    2.4878   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9322    2.5847    1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7024    2.2940    0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213    0.5601    2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2015   -0.1155    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999    0.6807    1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572   -1.4793    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200   -2.0235   -0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0842   -3.2643    0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167   -2.2561    0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7445   -1.4240    2.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249   -2.7748    2.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2528   -1.1461    3.4964 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