2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane

C12H22O3S — CID 22975888

IUPAC2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane
SMILESC1CCC(OCCSC2CCCOC2)OC1
InChIInChI=1S/C12H22O3S/c1-2-7-14-12(5-1)15-8-9-16-11-4-3-6-13-10-11/h11-12H,1-10H2
InChIKeyAFVHUQZJELZFES-UHFFFAOYSA-N
MW246.37 g/mol
LogP2.44
Rot. Bonds5

About 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane

2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane (PubChem CID 22975888) has the molecular formula C12H22O3S and a molecular weight of 246.37 g/mol. Its IUPAC name is 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane
PubChem CID22975888
Molecular FormulaC12H22O3S
Molecular Weight246.37 g/mol
Exact Mass246.13
IUPAC Name2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane
SMILESC1CCC(OCCSC2CCCOC2)OC1
InChIInChI=1S/C12H22O3S/c1-2-7-14-12(5-1)15-8-9-16-11-4-3-6-13-10-11/h11-12H,1-10H2
InChIKeyAFVHUQZJELZFES-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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-3-ylsulfanyl)ethoxy]oxane?
The IUPAC name of 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane (CID 22975888) is 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane.
What is the SMILES notation for 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane?
The canonical SMILES for 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane is C1CCC(OCCSC2CCCOC2)OC1.
What is the InChIKey of 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane?
The InChIKey is AFVHUQZJELZFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3S/c1-2-7-14-12(5-1)15-8-9-16-11-4-3-6-13-10-11/h11-12H,1-10H2.
What are the key properties of 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane?
2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane has a molecular weight of 246.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane is sourced from PubChem (CID 22975888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).