10-oxa-2-thiaspiro[4.6]undecane

C9H16OS — CID 118209684

IUPAC10-oxa-2-thiaspiro[4.6]undecane
SMILESC1CCC2(CCSC2)COC1
InChIInChI=1S/C9H16OS/c1-2-5-10-7-9(3-1)4-6-11-8-9/h1-8H2
InChIKeyIFJCBXIMOREUCI-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.31
Rot. Bonds

About 10-oxa-2-thiaspiro[4.6]undecane

10-oxa-2-thiaspiro[4.6]undecane (PubChem CID 118209684) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 10-oxa-2-thiaspiro[4.6]undecane.

Molecular Properties

Compound Name10-oxa-2-thiaspiro[4.6]undecane
PubChem CID118209684
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name10-oxa-2-thiaspiro[4.6]undecane
SMILESC1CCC2(CCSC2)COC1
InChIInChI=1S/C9H16OS/c1-2-5-10-7-9(3-1)4-6-11-8-9/h1-8H2
InChIKeyIFJCBXIMOREUCI-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-oxa-2-thiaspiro[4.6]undecane?
The IUPAC name of 10-oxa-2-thiaspiro[4.6]undecane (CID 118209684) is 10-oxa-2-thiaspiro[4.6]undecane.
What is the SMILES notation for 10-oxa-2-thiaspiro[4.6]undecane?
The canonical SMILES for 10-oxa-2-thiaspiro[4.6]undecane is C1CCC2(CCSC2)COC1.
What is the InChIKey of 10-oxa-2-thiaspiro[4.6]undecane?
The InChIKey is IFJCBXIMOREUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-2-5-10-7-9(3-1)4-6-11-8-9/h1-8H2.
What are the key properties of 10-oxa-2-thiaspiro[4.6]undecane?
10-oxa-2-thiaspiro[4.6]undecane has a molecular weight of 172.29 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-2-thiaspiro[4.6]undecane is sourced from PubChem (CID 118209684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).