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

C7H12O2S — CID 118210612

IUPAC2,5-dioxa-8-thiaspiro[3.6]decane
SMILESC1CSCCC2(COC2)O1
InChIInChI=1S/C7H12O2S/c1-3-10-4-2-9-7(1)5-8-6-7/h1-6H2
InChIKeyQKDWUNGUQQBNKN-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.91
Rot. Bonds

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

2,5-dioxa-8-thiaspiro[3.6]decane (PubChem CID 118210612) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2,5-dioxa-8-thiaspiro[3.6]decane.

Molecular Properties

Compound Name2,5-dioxa-8-thiaspiro[3.6]decane
PubChem CID118210612
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2,5-dioxa-8-thiaspiro[3.6]decane
SMILESC1CSCCC2(COC2)O1
InChIInChI=1S/C7H12O2S/c1-3-10-4-2-9-7(1)5-8-6-7/h1-6H2
InChIKeyQKDWUNGUQQBNKN-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 2,5-dioxa-8-thiaspiro[3.6]decane?
The IUPAC name of 2,5-dioxa-8-thiaspiro[3.6]decane (CID 118210612) is 2,5-dioxa-8-thiaspiro[3.6]decane.
What is the SMILES notation for 2,5-dioxa-8-thiaspiro[3.6]decane?
The canonical SMILES for 2,5-dioxa-8-thiaspiro[3.6]decane is C1CSCCC2(COC2)O1.
What is the InChIKey of 2,5-dioxa-8-thiaspiro[3.6]decane?
The InChIKey is QKDWUNGUQQBNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-3-10-4-2-9-7(1)5-8-6-7/h1-6H2.
What are the key properties of 2,5-dioxa-8-thiaspiro[3.6]decane?
2,5-dioxa-8-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 2,5-dioxa-8-thiaspiro[3.6]decane is sourced from PubChem (CID 118210612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).