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
   -3.4384    2.2376   -0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5547    0.9347   -0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5494    0.1239   -0.7584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763   -0.6190    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3803   -1.6352    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7719   -1.4094   -0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6561   -1.4164   -0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    0.0014   -0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1751    0.9776    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7989    0.2143    0.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824    0.1312    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5477   -0.7882   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9315    1.5671    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346    2.6626   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2141    2.9165   -0.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4672    0.5309    0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764   -2.3499    1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323   -2.2253    0.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -1.1601    1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475   -0.9519   -1.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -2.4470   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399   -2.0228   -1.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688   -1.8680    0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4193    0.2210   -1.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4624    1.3710   -0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    1.8068    0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2654   -0.4605    1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    0.9677    1.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2944   -0.1410    1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5276   -0.2901   -0.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4386   -0.9260   -1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218   -1.7519    0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392    1.6621    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5452    2.0901    1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820    2.0462   -0.6462 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