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
    3.6247    1.4387    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331    1.7543   -0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6228    0.9045   -0.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4986   -0.4764   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7189   -1.2389   -0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3321   -1.0110   -1.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779   -0.9056   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005    0.4225    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    0.3869    1.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007   -0.6640    0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688    0.7984    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9666   -0.1818    1.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    0.8968   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530    0.4232    0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2743    2.2168    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024    2.8293   -0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350   -1.7438   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843   -2.0648   -1.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.5767   -1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440   -0.4359   -2.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4836   -2.0715   -1.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7825   -0.9763   -1.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197   -1.7572    0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6927    1.1897   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    1.3549    1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3867    0.1716    2.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208   -1.6888    1.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9695   -0.5167    1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3691    1.7957    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771   -1.2334    1.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6919    0.0171    2.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0786   -0.0467    1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2075    1.4873   -0.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8237    1.4567   -1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5881   -0.1395   -0.9178 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