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
    4.2263    0.8095   -0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8191    0.4937    0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062    0.9072    0.8309 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.1161    0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7282   -1.1093    1.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3767    0.9052    1.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    1.1658    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2711   -0.2251    0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -0.7123   -0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1226   -0.3195   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682   -0.0925   -0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2419   -1.4000   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8037    0.9527   -1.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    1.4024   -1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1922    0.4830   -1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4457   -0.1037    1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680   -1.5866    1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9215   -1.8819    1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7611   -0.8026    2.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258    1.9177    1.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140    0.4032    2.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    1.7738   -0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6198    1.6606    1.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784   -0.8745    1.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4150   -1.8320   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6399   -0.3601   -1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7747   -1.1832   -0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    0.4809   -1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3066    0.2454    0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3648   -1.2897   -0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0338   -1.5968   -1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9599   -2.2257   -0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3402    1.8651   -1.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8440    1.2866   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4160    0.5704   -2.2394 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