cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane

C12H29IO — CID 144538497

IUPACcyclohexane;diethyl(hydroxy)-λ3-iodane;ethane
SMILESC1CCCCC1.CC.CCI(O)CC
InChIInChI=1S/C6H12.C4H11IO.C2H6/c1-2-4-6-5-3-1;1-3-5(6)4-2;1-2/h1-6H2;6H,3-4H2,1-2H3;1-2H3
InChIKeyADBKZYBYSBORMX-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.81
Rot. Bonds2

About cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane

cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane (PubChem CID 144538497) has the molecular formula C12H29IO and a molecular weight of 316.27 g/mol. Its IUPAC name is cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane.

Molecular Properties

Compound Namecyclohexane;diethyl(hydroxy)-λ3-iodane;ethane
PubChem CID144538497
Molecular FormulaC12H29IO
Molecular Weight316.27 g/mol
Exact Mass316.13
IUPAC Namecyclohexane;diethyl(hydroxy)-λ3-iodane;ethane
SMILESC1CCCCC1.CC.CCI(O)CC
InChIInChI=1S/C6H12.C4H11IO.C2H6/c1-2-4-6-5-3-1;1-3-5(6)4-2;1-2/h1-6H2;6H,3-4H2,1-2H3;1-2H3
InChIKeyADBKZYBYSBORMX-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

cyclobutane;ethane;propane
CID 142065255
bis(cyclohexane);ethane;propane
CID 91197261
bis(cyclohexane);ethane;propane
CID 160925836
cycloheptane;ethane;propane
CID 142095328
tris(cyclohexane);ethane;propane
CID 161084167
cyclohexane;ethane;methane;propane
CID 161168070
cyclopropane;ethanol
CID 66653568
cyclotricosane;ethanol
CID 159804835
butane;cyclopropane;ethane
CID 143412650
cyclopropane;ethane
CID 143364855
cyclopropane;ethane
CID 158116673
cyclopropane;ethane
CID 158590246

Frequently Asked Questions

What is the IUPAC name of cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane?
The IUPAC name of cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane (CID 144538497) is cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane.
What is the SMILES notation for cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane?
The canonical SMILES for cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane is C1CCCCC1.CC.CCI(O)CC.
What is the InChIKey of cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane?
The InChIKey is ADBKZYBYSBORMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H11IO.C2H6/c1-2-4-6-5-3-1;1-3-5(6)4-2;1-2/h1-6H2;6H,3-4H2,1-2H3;1-2H3.
What are the key properties of cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane?
cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane has a molecular weight of 316.27 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;diethyl(hydroxy)-λ3-iodane;ethane is sourced from PubChem (CID 144538497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).