7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide

C6H10O3S — CID 118609045

IUPAC7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide
SMILESO=S1(=O)CC2(CCOC2)C1
InChIInChI=1S/C6H10O3S/c7-10(8)4-6(5-10)1-2-9-3-6/h1-5H2
InChIKeyHVVKKNNZVQSKEM-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.18
Rot. Bonds

About 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide

7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide (PubChem CID 118609045) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide.

Molecular Properties

Compound Name7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide
PubChem CID118609045
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide
SMILESO=S1(=O)CC2(CCOC2)C1
InChIInChI=1S/C6H10O3S/c7-10(8)4-6(5-10)1-2-9-3-6/h1-5H2
InChIKeyHVVKKNNZVQSKEM-UHFFFAOYSA-N
XLogP-0.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide?
The IUPAC name of 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide (CID 118609045) is 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide.
What is the SMILES notation for 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide?
The canonical SMILES for 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide is O=S1(=O)CC2(CCOC2)C1.
What is the InChIKey of 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide?
The InChIKey is HVVKKNNZVQSKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-10(8)4-6(5-10)1-2-9-3-6/h1-5H2.
What are the key properties of 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide?
7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide has a molecular weight of 162.21 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide is sourced from PubChem (CID 118609045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).