2-oxa-6-thiaspiro[3.6]decane

C8H14OS — CID 118210443

IUPAC2-oxa-6-thiaspiro[3.6]decane
SMILESC1CCC2(COC2)CSC1
InChIInChI=1S/C8H14OS/c1-2-4-10-7-8(3-1)5-9-6-8/h1-7H2
InChIKeyGSFKVBLHBFCBHV-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.92
Rot. Bonds

About 2-oxa-6-thiaspiro[3.6]decane

2-oxa-6-thiaspiro[3.6]decane (PubChem CID 118210443) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-oxa-6-thiaspiro[3.6]decane.

Molecular Properties

Compound Name2-oxa-6-thiaspiro[3.6]decane
PubChem CID118210443
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-oxa-6-thiaspiro[3.6]decane
SMILESC1CCC2(COC2)CSC1
InChIInChI=1S/C8H14OS/c1-2-4-10-7-8(3-1)5-9-6-8/h1-7H2
InChIKeyGSFKVBLHBFCBHV-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-thiaspiro[3.6]decane?
The IUPAC name of 2-oxa-6-thiaspiro[3.6]decane (CID 118210443) is 2-oxa-6-thiaspiro[3.6]decane.
What is the SMILES notation for 2-oxa-6-thiaspiro[3.6]decane?
The canonical SMILES for 2-oxa-6-thiaspiro[3.6]decane is C1CCC2(COC2)CSC1.
What is the InChIKey of 2-oxa-6-thiaspiro[3.6]decane?
The InChIKey is GSFKVBLHBFCBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-4-10-7-8(3-1)5-9-6-8/h1-7H2.
What are the key properties of 2-oxa-6-thiaspiro[3.6]decane?
2-oxa-6-thiaspiro[3.6]decane has a molecular weight of 158.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-thiaspiro[3.6]decane is sourced from PubChem (CID 118210443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).