1,4-dioxa-7-thiaspiro[4.4]nonane

C6H10O2S — CID 2779018

IUPAC1,4-dioxa-7-thiaspiro[4.4]nonane
SMILESC1COC2(CCSC2)O1
InChIInChI=1S/C6H10O2S/c1-4-9-5-6(1)7-2-3-8-6/h1-5H2
InChIKeyRQALKBLYTUKBFV-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.87
Rot. Bonds

About 1,4-dioxa-7-thiaspiro[4.4]nonane

1,4-dioxa-7-thiaspiro[4.4]nonane (PubChem CID 2779018) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 1,4-dioxa-7-thiaspiro[4.4]nonane.

Molecular Properties

Compound Name1,4-dioxa-7-thiaspiro[4.4]nonane
PubChem CID2779018
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name1,4-dioxa-7-thiaspiro[4.4]nonane
SMILESC1COC2(CCSC2)O1
InChIInChI=1S/C6H10O2S/c1-4-9-5-6(1)7-2-3-8-6/h1-5H2
InChIKeyRQALKBLYTUKBFV-UHFFFAOYSA-N
XLogP0.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7-thiaspiro[4.4]nonane?
The IUPAC name of 1,4-dioxa-7-thiaspiro[4.4]nonane (CID 2779018) is 1,4-dioxa-7-thiaspiro[4.4]nonane.
What is the SMILES notation for 1,4-dioxa-7-thiaspiro[4.4]nonane?
The canonical SMILES for 1,4-dioxa-7-thiaspiro[4.4]nonane is C1COC2(CCSC2)O1.
What is the InChIKey of 1,4-dioxa-7-thiaspiro[4.4]nonane?
The InChIKey is RQALKBLYTUKBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-9-5-6(1)7-2-3-8-6/h1-5H2.
What are the key properties of 1,4-dioxa-7-thiaspiro[4.4]nonane?
1,4-dioxa-7-thiaspiro[4.4]nonane has a molecular weight of 146.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7-thiaspiro[4.4]nonane is sourced from PubChem (CID 2779018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).