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
    3.6233    0.4376   -2.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6099    0.6317   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5066    1.2121   -0.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5109    0.4817    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2467   -0.2078    1.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -0.5891   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796   -1.0757   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2323    0.1669   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928    0.9304    1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5214    1.4226    1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -0.1361   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826   -0.9339    0.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9649   -0.8137   -1.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4734   -0.0144   -2.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7968    0.7148   -2.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4448    0.3443   -0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -1.1886    1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1213    0.3874    1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5245   -0.3970    2.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.2717   -1.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094   -1.4691   -0.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2993   -1.4383    0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -1.8531   -0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533    0.8119   -1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764    1.7644    1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157    0.2160    1.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8150    1.7542    2.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758    2.3802    0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.8323   -0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5756   -1.8420    0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2590   -1.1063    0.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9961   -0.2990    1.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5089   -1.7812   -1.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0303   -1.1051   -2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5265   -0.1514   -2.2770 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