8-oxa-2-thiaspiro[4.5]decane

C8H14OS — CID 118210637

IUPAC8-oxa-2-thiaspiro[4.5]decane
SMILESC1CC2(CCO1)CCSC2
InChIInChI=1S/C8H14OS/c1-4-9-5-2-8(1)3-6-10-7-8/h1-7H2
InChIKeyPIAPONJSIXHCKI-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.92
Rot. Bonds

About 8-oxa-2-thiaspiro[4.5]decane

8-oxa-2-thiaspiro[4.5]decane (PubChem CID 118210637) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 8-oxa-2-thiaspiro[4.5]decane.

Molecular Properties

Compound Name8-oxa-2-thiaspiro[4.5]decane
PubChem CID118210637
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name8-oxa-2-thiaspiro[4.5]decane
SMILESC1CC2(CCO1)CCSC2
InChIInChI=1S/C8H14OS/c1-4-9-5-2-8(1)3-6-10-7-8/h1-7H2
InChIKeyPIAPONJSIXHCKI-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 8-oxa-2-thiaspiro[4.5]decane?
The IUPAC name of 8-oxa-2-thiaspiro[4.5]decane (CID 118210637) is 8-oxa-2-thiaspiro[4.5]decane.
What is the SMILES notation for 8-oxa-2-thiaspiro[4.5]decane?
The canonical SMILES for 8-oxa-2-thiaspiro[4.5]decane is C1CC2(CCO1)CCSC2.
What is the InChIKey of 8-oxa-2-thiaspiro[4.5]decane?
The InChIKey is PIAPONJSIXHCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-4-9-5-2-8(1)3-6-10-7-8/h1-7H2.
What are the key properties of 8-oxa-2-thiaspiro[4.5]decane?
8-oxa-2-thiaspiro[4.5]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 8-oxa-2-thiaspiro[4.5]decane is sourced from PubChem (CID 118210637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).