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
    4.1384   -2.5067    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1223   -2.2062   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -1.1194    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848   -0.4436    1.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325   -0.7677   -0.6638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898    0.2693   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3141    1.4324   -1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2903    2.6150   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    3.4606   -1.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057    2.3151    0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8254    1.0195    0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1424   -0.0948   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3818   -1.4429    0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7988   -1.6376    1.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9244   -2.5663   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235   -3.2982    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899   -1.9365    1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9755   -2.7786   -1.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6456    0.7127    0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100    1.6151   -1.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728    1.1607   -2.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    3.2727   -0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    3.5007   -2.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1436    4.5113   -1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143    3.0048   -1.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787    3.1345    0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4881    2.4257    1.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431    0.6979    1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8825    1.1418    0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6030   -0.1370   -1.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058   -1.5430    0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6474   -0.7025    2.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5005   -2.2552    2.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547   -2.2440    1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6705   -3.3838   -0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8284   -2.2014   -1.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -3.0246   -0.0461 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