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
    4.2901    1.3314   -1.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4228    0.9508   -0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170    0.2375   -0.9463 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579   -0.5776   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572   -1.6855    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    0.1582    1.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    0.9505    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2881    0.1193   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8067   -1.2987   -0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060   -1.2801   -0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6252    0.2672    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919    1.7379    0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7160   -0.5202   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1106    1.0699   -2.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765    1.8945   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480    1.2407    0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -2.6006    0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8632   -1.4114    1.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341   -1.9437   -0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611    0.8466    1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662   -0.5890    1.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0869    1.8216    0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    1.3717    1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3516    0.4977   -1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206   -1.8841   -0.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846   -1.7719    0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992   -2.3089   -1.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3046   -0.6659   -1.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5308   -0.0777    1.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5578    2.0644    1.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730    2.3548    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6045    1.8701   -0.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6780    0.0158    0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8416   -1.5107    0.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6195   -0.6745   -1.1104 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