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
    4.3329   -0.7576    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694   -0.7736    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.1418    0.8268 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    0.6614   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3484    1.3798   -1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6814   -0.4082   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627   -1.1908   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063   -0.3749    0.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5284    0.8948    1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3394    1.6197    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869   -0.2331    0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280   -1.5915   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3704    0.7052    0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0924   -1.4660    0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414   -0.0334    1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031   -1.5180   -0.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8396    0.6831   -1.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1159    1.8793   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253    2.1425   -1.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573    0.0897   -1.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123   -1.0965   -1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578   -1.9619    0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -1.7917   -0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2652   -1.0249    1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    1.6042    1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1030    0.7626    2.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487    1.9111   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7893    2.4854    0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    0.1920   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6216   -2.3014    0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2213   -1.5118    0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -1.9724   -1.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3588    0.5857    1.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1337    1.7452    0.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4176    0.5240    0.5625 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