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
    3.9427    1.5879   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6272    0.3242   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.2785    0.4893 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639   -0.7582   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0168   -1.8005   -1.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -1.4367    0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9416   -1.4109    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3722   -0.0937   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    0.9307   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9074    0.3967   -1.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6880    0.3113    0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1590    1.6528   -0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6827    0.2653    1.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7547    1.9905   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4054    2.2433    0.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1800   -0.3114   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2916   -2.6423   -1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024   -1.3889   -2.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517   -2.2466   -0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898   -0.9210    1.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109   -2.4675    0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114   -2.1713   -0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5841   -1.7923    0.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5216   -0.1625   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0592    0.9167    0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5599    1.9363   -0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253    1.1694   -1.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880   -0.0009   -1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4347   -0.4397   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6350    2.5027    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2588    1.7020   -0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0992    1.6281   -1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4163    0.9744    2.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9386   -0.7406    2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6941    0.5310    2.1301 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