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
    3.3698    2.2204   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151    1.2060   -0.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9561   -0.0622   -0.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.6917   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975   -2.0754    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624   -0.8977   -1.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5299   -1.0531   -1.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031    0.2091   -0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192    0.2480    0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458    0.1264    1.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4985    0.3102   -0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096    1.5780    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624   -0.8872    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7797    2.0503    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3627    3.2368   -0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246    1.4314   -1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -2.7230   -0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2843   -2.4931    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -1.9639    1.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130   -0.0365   -1.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735   -1.7900   -1.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -1.8944   -0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778   -1.2175   -2.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380    1.0610   -1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9155   -0.5404    1.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7485    1.2182    1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885    1.1647    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068   -0.3213    2.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.3708   -1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    2.4234   -0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7766    1.5734    1.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878    1.7615    0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0671   -0.9696    1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2643   -0.7881    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8392   -1.7847   -0.3420 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