7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide

C8H14O3S — CID 166880650

IUPAC7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
SMILESO=S1(=O)CCC2(CCCC2)CO1
InChIInChI=1S/C8H14O3S/c9-12(10)6-5-8(7-11-12)3-1-2-4-8/h1-7H2
InChIKeyCEMIMGFJVSMDRM-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.30
Rot. Bonds

About 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide

7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide (PubChem CID 166880650) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide.

Molecular Properties

Compound Name7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
PubChem CID166880650
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
SMILESO=S1(=O)CCC2(CCCC2)CO1
InChIInChI=1S/C8H14O3S/c9-12(10)6-5-8(7-11-12)3-1-2-4-8/h1-7H2
InChIKeyCEMIMGFJVSMDRM-UHFFFAOYSA-N
XLogP1.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1-oxa-2λ6-thiacycloundecane 2,2-dioxide
CID 140634565
1-oxa-2λ6-thiacyclooctadecane 2,2-dioxide
CID 154094068
spiro[4.4]nonane
CID 90780660
N-[ethoxy-[(5-methyl-2,2-dioxooxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxooxathian-5-amine
CID 59350881
5,5,7-trimethyloxathiocane 2,2-dioxide
CID 134350155
8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide
CID 118609043
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[4.4]nonane;dihydrochloride
CID 172764572
spiro[2.4]heptane
CID 12657448
4-(4-methyl-2,2-dioxooxathiolan-4-yl)-8,8-dioxo-1,3,9-trioxa-8λ6-thiaspiro[4.5]decan-2-one
CID 170068385
4-deuteriooxathiane 2,2-dioxide
CID 175841659
11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone
CID 141130807

Frequently Asked Questions

What is the IUPAC name of 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide?
The IUPAC name of 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide (CID 166880650) is 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide.
What is the SMILES notation for 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide?
The canonical SMILES for 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide is O=S1(=O)CCC2(CCCC2)CO1.
What is the InChIKey of 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide?
The InChIKey is CEMIMGFJVSMDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c9-12(10)6-5-8(7-11-12)3-1-2-4-8/h1-7H2.
What are the key properties of 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide?
7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide has a molecular weight of 190.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide is sourced from PubChem (CID 166880650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).