9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one

C8H12O4S — CID 103439764

IUPAC9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCS(=O)(=O)C2)O1
InChIInChI=1S/C8H12O4S/c9-7-2-4-8(12-7)3-1-5-13(10,11)6-8/h1-6H2
InChIKeyBIOQWWSWCKHTPO-UHFFFAOYSA-N
MW204.25 g/mol
LogP0.27
Rot. Bonds

About 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one

9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one (PubChem CID 103439764) has the molecular formula C8H12O4S and a molecular weight of 204.25 g/mol. Its IUPAC name is 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one
PubChem CID103439764
Molecular FormulaC8H12O4S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Name9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCS(=O)(=O)C2)O1
InChIInChI=1S/C8H12O4S/c9-7-2-4-8(12-7)3-1-5-13(10,11)6-8/h1-6H2
InChIKeyBIOQWWSWCKHTPO-UHFFFAOYSA-N
XLogP0.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one?
The IUPAC name of 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one (CID 103439764) is 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one.
What is the SMILES notation for 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one?
The canonical SMILES for 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one is O=C1CCC2(CCCS(=O)(=O)C2)O1.
What is the InChIKey of 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one?
The InChIKey is BIOQWWSWCKHTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4S/c9-7-2-4-8(12-7)3-1-5-13(10,11)6-8/h1-6H2.
What are the key properties of 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one?
9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one has a molecular weight of 204.25 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dioxo-1-oxa-9λ6-thiaspiro[4.5]decan-2-one is sourced from PubChem (CID 103439764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).