cyclohexane;oxane

C21H42O3 — CID 70115955

IUPACcyclohexane;oxane
SMILESC1CCCCC1.C1CCOCC1.C1CCOCC1.C1CCOCC1
InChIInChI=1S/C6H12.3C5H10O/c4*1-2-4-6-5-3-1/h1-6H2;3*1-5H2
InChIKeyBZXDUJZEDCTUBQ-UHFFFAOYSA-N
MW342.56 g/mol
LogP5.90
Rot. Bonds

About cyclohexane;oxane

cyclohexane;oxane (PubChem CID 70115955) has the molecular formula C21H42O3 and a molecular weight of 342.56 g/mol. Its IUPAC name is cyclohexane;oxane.

Molecular Properties

Compound Namecyclohexane;oxane
PubChem CID70115955
Molecular FormulaC21H42O3
Molecular Weight342.56 g/mol
Exact Mass342.31
IUPAC Namecyclohexane;oxane
SMILESC1CCCCC1.C1CCOCC1.C1CCOCC1.C1CCOCC1
InChIInChI=1S/C6H12.3C5H10O/c4*1-2-4-6-5-3-1/h1-6H2;3*1-5H2
InChIKeyBZXDUJZEDCTUBQ-UHFFFAOYSA-N
XLogP5.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;oxane?
The IUPAC name of cyclohexane;oxane (CID 70115955) is cyclohexane;oxane.
What is the SMILES notation for cyclohexane;oxane?
The canonical SMILES for cyclohexane;oxane is C1CCCCC1.C1CCOCC1.C1CCOCC1.C1CCOCC1.
What is the InChIKey of cyclohexane;oxane?
The InChIKey is BZXDUJZEDCTUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.3C5H10O/c4*1-2-4-6-5-3-1/h1-6H2;3*1-5H2.
What are the key properties of cyclohexane;oxane?
cyclohexane;oxane has a molecular weight of 342.56 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;oxane is sourced from PubChem (CID 70115955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).