cyclohexane;oxane

C16H32O2 — CID 20574508

IUPACcyclohexane;oxane
SMILESC1CCCCC1.C1CCOCC1.C1CCOCC1
InChIInChI=1S/C6H12.2C5H10O/c3*1-2-4-6-5-3-1/h1-6H2;2*1-5H2
InChIKeyNHJDHTNWISYOQE-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.71
Rot. Bonds

About cyclohexane;oxane

cyclohexane;oxane (PubChem CID 20574508) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is cyclohexane;oxane.

Molecular Properties

Compound Namecyclohexane;oxane
PubChem CID20574508
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Namecyclohexane;oxane
SMILESC1CCCCC1.C1CCOCC1.C1CCOCC1
InChIInChI=1S/C6H12.2C5H10O/c3*1-2-4-6-5-3-1/h1-6H2;2*1-5H2
InChIKeyNHJDHTNWISYOQE-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohexane;oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexane;oxane?
The IUPAC name of cyclohexane;oxane (CID 20574508) is cyclohexane;oxane.
What is the SMILES notation for cyclohexane;oxane?
The canonical SMILES for cyclohexane;oxane is C1CCCCC1.C1CCOCC1.C1CCOCC1.
What is the InChIKey of cyclohexane;oxane?
The InChIKey is NHJDHTNWISYOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C5H10O/c3*1-2-4-6-5-3-1/h1-6H2;2*1-5H2.
What are the key properties of cyclohexane;oxane?
cyclohexane;oxane has a molecular weight of 256.43 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;oxane is sourced from PubChem (CID 20574508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).