5,8-dioxa-2-thiaspiro[3.6]decane

C7H12O2S — CID 118210315

IUPAC5,8-dioxa-2-thiaspiro[3.6]decane
SMILESC1COC2(CCO1)CSC2
InChIInChI=1S/C7H12O2S/c1-2-8-3-4-9-7(1)5-10-6-7/h1-6H2
InChIKeyADLFGFSSXJMNBI-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.91
Rot. Bonds

About 5,8-dioxa-2-thiaspiro[3.6]decane

5,8-dioxa-2-thiaspiro[3.6]decane (PubChem CID 118210315) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 5,8-dioxa-2-thiaspiro[3.6]decane.

Molecular Properties

Compound Name5,8-dioxa-2-thiaspiro[3.6]decane
PubChem CID118210315
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name5,8-dioxa-2-thiaspiro[3.6]decane
SMILESC1COC2(CCO1)CSC2
InChIInChI=1S/C7H12O2S/c1-2-8-3-4-9-7(1)5-10-6-7/h1-6H2
InChIKeyADLFGFSSXJMNBI-UHFFFAOYSA-N
XLogP0.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dioxa-2-thiaspiro[3.6]decane?
The IUPAC name of 5,8-dioxa-2-thiaspiro[3.6]decane (CID 118210315) is 5,8-dioxa-2-thiaspiro[3.6]decane.
What is the SMILES notation for 5,8-dioxa-2-thiaspiro[3.6]decane?
The canonical SMILES for 5,8-dioxa-2-thiaspiro[3.6]decane is C1COC2(CCO1)CSC2.
What is the InChIKey of 5,8-dioxa-2-thiaspiro[3.6]decane?
The InChIKey is ADLFGFSSXJMNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-8-3-4-9-7(1)5-10-6-7/h1-6H2.
What are the key properties of 5,8-dioxa-2-thiaspiro[3.6]decane?
5,8-dioxa-2-thiaspiro[3.6]decane has a molecular weight of 160.24 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxa-2-thiaspiro[3.6]decane is sourced from PubChem (CID 118210315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).