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
   -4.1483    1.2810    0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8011    0.1524    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775    0.0273   -0.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5318   -0.6782   -0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0598   -2.0915    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5771   -0.8209   -1.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397    0.1935   -1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749   -0.0286   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    0.0752    1.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0369   -0.0396    0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4733    0.8968    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4498    0.6774   -1.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284    0.6839    1.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0279    1.3109    1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6003    2.2013    0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3703   -0.7506    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2311   -2.7160    0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4278   -2.4752   -0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8953   -2.0455    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0811   -0.6905   -2.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1525   -1.8676   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0769    1.1902   -1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    0.0036   -2.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7086   -1.0683   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7827   -0.6829    1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    1.0652    1.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4685   -0.5893    1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4938    0.9832    1.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    1.9467    0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    0.8528   -2.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2694    1.4273   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9460   -0.3122   -1.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2205    0.1968    1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872    0.0390    2.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4549    1.6524    1.8346 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