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
    4.8030   -1.1376    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6159   -0.5723    0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146   -1.0933    0.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5186   -0.1367   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2365    0.8533   -1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9234    0.5385    0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903    0.0583    1.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    0.3356    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6973    0.2193   -1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4015   -0.8189   -1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5845   -0.6569    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860   -0.3274   -1.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827   -0.6782    1.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6565   -0.7474    1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558   -2.0140    0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308    0.2969    1.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    0.4640   -1.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4624    1.7407   -0.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    1.0881   -2.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5273    0.2423    1.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9087    1.6304    0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112   -0.9850    1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386    0.6802    2.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032    1.3419    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387   -0.0499   -2.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2733    1.2274   -1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050   -1.6263   -0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7228   -1.2507   -2.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411   -1.6598   -0.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3018   -0.9729   -1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4328    0.7634   -1.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5671   -0.4746   -0.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5295    0.3237    1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287   -1.1660    2.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1979   -1.2980    1.3006 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