2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane

C12H22O3S — CID 15238320

IUPAC2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane
SMILESC1CCC(OCCSC2CCCCO2)OC1
InChIInChI=1S/C12H22O3S/c1-3-7-13-11(5-1)14-9-10-16-12-6-2-4-8-15-12/h11-12H,1-10H2
InChIKeyRCWBSBZSCVNIJX-UHFFFAOYSA-N
MW246.37 g/mol
LogP2.79
Rot. Bonds5

About 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane

2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane (PubChem CID 15238320) has the molecular formula C12H22O3S and a molecular weight of 246.37 g/mol. Its IUPAC name is 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane.

Molecular Properties

Compound Name2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane
PubChem CID15238320
Molecular FormulaC12H22O3S
Molecular Weight246.37 g/mol
Exact Mass246.13
IUPAC Name2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane
SMILESC1CCC(OCCSC2CCCCO2)OC1
InChIInChI=1S/C12H22O3S/c1-3-7-13-11(5-1)14-9-10-16-12-6-2-4-8-15-12/h11-12H,1-10H2
InChIKeyRCWBSBZSCVNIJX-UHFFFAOYSA-N
XLogP2.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane?
The IUPAC name of 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane (CID 15238320) is 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane.
What is the SMILES notation for 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane?
The canonical SMILES for 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane is C1CCC(OCCSC2CCCCO2)OC1.
What is the InChIKey of 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane?
The InChIKey is RCWBSBZSCVNIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3S/c1-3-7-13-11(5-1)14-9-10-16-12-6-2-4-8-15-12/h11-12H,1-10H2.
What are the key properties of 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane?
2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane has a molecular weight of 246.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane is sourced from PubChem (CID 15238320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).