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
cid=

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
   -3.7713    2.0625    0.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5065    0.7893    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5124    0.0747    0.9684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289   -0.6754    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754   -1.6680   -0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0327    0.3397   -0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1899    0.9324   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1025   -0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7730   -1.4124    0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5327   -1.3205    0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5635    0.3355    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9995    1.6438   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -0.6840    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1831    2.5320    1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5440    2.5750    0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0659    0.2692   -0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7465   -1.1865   -1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8783   -2.5951   -0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4023   -1.9325   -0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7097   -0.2378   -1.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767    1.1190   -1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638    1.9076   -0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711    1.0966    0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5265   -0.1333   -1.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4773   -2.0011    0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601   -2.0618   -0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3949   -0.8756    1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8447   -2.3861    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4389    0.4630    1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867    1.6866   -1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162    1.6593   -0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    2.5235    0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679   -1.4969    0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6357   -0.1806   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4323   -1.0595   -0.9714 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