Monomers

1-Ethenoxy-1-methyl-4-propan-2-ylcyclohexane

Identifiers

IUPAC name
1-ethenoxy-1-methyl-4-propan-2-ylcyclohexane
InchI
InChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h5,10-11H,1,6-9H2,2-4H3
InchI Key
WRUMORYYDBPISA-UHFFFAOYSA-N
SMILES
C=COC1(C)CCC(CC1)C(C)C
Canonical SMILES
CC(C)C1CCC(CC1)(C)OC=C
Isomeric SMILES
CC(C)C1CCC(CC1)(C)OC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H22O
Heavy Atom Count
13
Molecular Weight
182.307
Exact Molecular Weight
182.1671
Valence Electrons
76
Radical Electrons
0
tPSA
9.23
MolLogP
3.7514
H Bond Acceptors
1
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

 35 35  0  0  0  0  0  0  0  0999 V2000
    4.1414   -0.7914    0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8524   -0.1475   -0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    0.4898   -1.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6058    0.5564   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205    1.2590    1.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4343    1.3398   -0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6913    1.2521    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -0.1433    0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.0508   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200   -0.8385    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6378   -0.2607   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895   -1.6973    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6036    0.6428    0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4579   -0.8894    1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1010   -1.2718    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6141   -0.1114   -1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2019    1.4927    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9175    0.7148    2.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6218    2.2638    1.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298    1.0059   -1.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623    2.3907   -0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4746    2.0023    0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896    1.5257    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2562   -0.5310    1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5658   -2.1035   -0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001   -0.9489   -1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628   -0.9617    1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.6252   -0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969   -0.0297   -1.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8951   -2.0035    1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2023   -1.7196   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814   -2.3613   -0.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6926    1.5825   -0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6197    0.1557    0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4022    0.8129    1.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 10  4  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  5 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 12 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers