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
    4.4403    1.5934   -0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969    0.7364   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6803    0.0105   -0.8213 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722   -0.4937   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846   -1.4155    0.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690    0.6540    0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158    1.0993   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657   -0.0465    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7790   -1.2038   -0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641   -1.2787   -0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826    0.2880   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5537   -0.9286   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449    1.4289    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217    2.1379   -0.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281    1.8101   -1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8737    0.5778    0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0658   -1.9183    0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4936   -0.8502    1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4184   -2.2054    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380    0.3022    1.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    1.4745    0.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6866    2.0535    0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652    1.1507   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -0.3110    1.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768   -1.2188   -1.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233   -2.1397   -0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314   -0.9416   -1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -2.3649   -0.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614    0.5605   -1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6794   -1.1712    1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -0.7702   -0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1197   -1.7808   -0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682    2.3793    0.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3185    1.5192    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1674    1.2626    1.6668 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