9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione

C8H10O5S — CID 63910068

IUPAC9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCS(=O)(=O)C2)C(=O)O1
InChIInChI=1S/C8H10O5S/c9-6-4-8(7(10)13-6)2-1-3-14(11,12)5-8/h1-5H2
InChIKeyRWUUEGOITRJUND-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.35
Rot. Bonds

About 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione

9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione (PubChem CID 63910068) has the molecular formula C8H10O5S and a molecular weight of 218.23 g/mol. Its IUPAC name is 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione
PubChem CID63910068
Molecular FormulaC8H10O5S
Molecular Weight218.23 g/mol
Exact Mass218.02
IUPAC Name9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCS(=O)(=O)C2)C(=O)O1
InChIInChI=1S/C8H10O5S/c9-6-4-8(7(10)13-6)2-1-3-14(11,12)5-8/h1-5H2
InChIKeyRWUUEGOITRJUND-UHFFFAOYSA-N
XLogP-0.35
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione?
The IUPAC name of 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione (CID 63910068) is 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCS(=O)(=O)C2)C(=O)O1.
What is the InChIKey of 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione?
The InChIKey is RWUUEGOITRJUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5S/c9-6-4-8(7(10)13-6)2-1-3-14(11,12)5-8/h1-5H2.
What are the key properties of 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione?
9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione has a molecular weight of 218.23 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dioxo-2-oxa-9λ6-thiaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 63910068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).