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
    4.0553    1.0797   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3687    0.5116   -1.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729   -0.2751   -1.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -0.5598    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457   -1.2208    1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4233   -1.5085   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8141   -1.4283    0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650   -0.0382    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4187    0.8936   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    0.7038    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7847    0.0993    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -0.2570   -1.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    1.5606    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8371    0.9973    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    1.7051   -0.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323    0.7021   -2.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0521   -2.2434    1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -0.6256    1.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4681   -1.3577    0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8415   -2.5406   -0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657   -1.3962   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5852   -2.0554   -0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -1.8841    1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3244    0.2419    1.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7455    1.9518   -0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3649    0.5542   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.5368    1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    1.5937    0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4163   -0.4792    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2912   -1.0057   -1.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0249   -0.6968   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0168    0.6610   -1.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2714    1.6444    0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9696    2.1355   -0.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663    1.9998    1.1917 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