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
   -3.8194    2.3319    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153    1.1520   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3323    0.6361    0.5208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5585   -0.5061    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4213   -1.7391    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861   -0.7482    1.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5373    0.1542    1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014   -0.5751    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124   -0.8993   -0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561   -0.2125   -1.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686    0.1695    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5628   -0.5313   -0.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    1.5930   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5869    2.7551   -0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4766    2.8915    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6863    0.6316   -1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090   -1.7896   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7424   -2.6179    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253   -1.7543    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1718   -0.3969    2.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4017   -1.8022    1.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861    1.1210    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497    0.2522    2.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6760   -1.5440    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -0.6492   -1.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584   -1.9970   -1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6742    0.8601   -1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049   -0.6750   -1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283    0.1652    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4155   -1.0565   -0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9580    0.1518   -1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644   -1.3208   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3368    1.7231   -1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    2.0654   -0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8442    2.1614    0.2465 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