8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one

C8H12O4S — CID 103439894

IUPAC8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCS(=O)(=O)CC2)O1
InChIInChI=1S/C8H12O4S/c9-7-1-2-8(12-7)3-5-13(10,11)6-4-8/h1-6H2
InChIKeyCWHLYQVTIIWKTQ-UHFFFAOYSA-N
MW204.25 g/mol
LogP0.27
Rot. Bonds

About 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one

8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one (PubChem CID 103439894) has the molecular formula C8H12O4S and a molecular weight of 204.25 g/mol. Its IUPAC name is 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one
PubChem CID103439894
Molecular FormulaC8H12O4S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Name8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCS(=O)(=O)CC2)O1
InChIInChI=1S/C8H12O4S/c9-7-1-2-8(12-7)3-5-13(10,11)6-4-8/h1-6H2
InChIKeyCWHLYQVTIIWKTQ-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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Related Compounds

tert-butyl (2R,3R)-3-methyl-1,1-dioxothiane-2-carboxylate
CID 102192463
{3-Oxo-2-oxa-7-thiaspiro[4.5]decan-1-yl}methanesulfonyl fluoride
CID 165871034
3-Methylsulfonyl-5,5-dipropyloxolan-2-one
CID 85953732
1-Oxa-8-thiaspiro[4.5]decan-2-one
CID 103439824
3,3-Dimethyl-8-oxo-1-oxa-8lambda4-thiaspiro[4.5]decan-2-one
CID 144423715
Tert-butyl 2-(3-methyl-1,1-dioxothiolan-2-yl)acetate
CID 168954771
9,9-Dioxo-2-oxa-9lambda6-thiaspiro[4.5]decane-1,3-dione
CID 63910068
3-(4-Hydroxy-1,1-dioxothian-4-yl)propanoic acid
CID 66322569
(1,1-Dioxothian-3-yl) cyclopentanecarboxylate
CID 72102997
Methyl 3-(3-hydroxy-1,1-dioxothiolan-3-yl)propanoate
CID 84735376
[(3R)-1,1-dioxothian-3-yl] cyclopentanecarboxylate
CID 95974366
[(3S)-1,1-dioxothian-3-yl] cyclopentanecarboxylate
CID 95974367

Frequently Asked Questions

What is the IUPAC name of 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one?
The IUPAC name of 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one (CID 103439894) is 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one.
What is the SMILES notation for 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one?
The canonical SMILES for 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one is O=C1CCC2(CCS(=O)(=O)CC2)O1.
What is the InChIKey of 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one?
The InChIKey is CWHLYQVTIIWKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4S/c9-7-1-2-8(12-7)3-5-13(10,11)6-4-8/h1-6H2.
What are the key properties of 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one?
8,8-dioxo-1-oxa-8λ6-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 8,8-dioxo-1-oxa-8λ6-thiaspiro[4.5]decan-2-one is sourced from PubChem (CID 103439894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).