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
    4.2912    1.1058    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7218    0.6343   -1.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6381   -0.1718   -1.1756 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6056   -0.4030   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   -0.9720    1.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9530    0.9323    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3326    0.7006    0.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -0.0781   -0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902   -1.4470   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747   -1.3884   -0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313    0.0108    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6843   -0.6910   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818    1.5016    0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550    1.7419   -0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8930    0.8568    0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1836    0.9305   -2.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933   -0.2380    1.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735   -1.3826    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060   -1.8250    1.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337    1.5482    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899    1.3799   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418    1.6222    1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1486    0.1014    1.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866    0.4278   -1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -2.0181    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3080   -2.0532   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1644   -2.3846   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893   -1.1506   -1.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6720   -0.3562    1.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4762   -1.1457    0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2374    0.0303   -1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3422   -1.4998   -1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0502    1.6765    0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905    2.0918   -0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8202    1.9123    1.4606 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