(5R)-1-oxa-4-thiaspiro[4.5]decan-6-one

C8H12O2S — CID 12670326

IUPAC(5R)-1-oxa-4-thiaspiro[4.5]decan-6-one
SMILESO=C1CCCC[C@]12OCCS2
InChIInChI=1S/C8H12O2S/c9-7-3-1-2-4-8(7)10-5-6-11-8/h1-6H2/t8-/m1/s1
InChIKeyQXIWWQAAIUTCKQ-MRVPVSSYSA-N
MW172.25 g/mol
LogP1.59
Rot. Bonds

About (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one

(5R)-1-oxa-4-thiaspiro[4.5]decan-6-one (PubChem CID 12670326) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-1-oxa-4-thiaspiro[4.5]decan-6-one
PubChem CID12670326
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name(5R)-1-oxa-4-thiaspiro[4.5]decan-6-one
SMILESO=C1CCCC[C@]12OCCS2
InChIInChI=1S/C8H12O2S/c9-7-3-1-2-4-8(7)10-5-6-11-8/h1-6H2/t8-/m1/s1
InChIKeyQXIWWQAAIUTCKQ-MRVPVSSYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-oxaspiro[5.5]undecan-11-one
CID 125451232
1-oxaspiro[4.5]decan-6-one
CID 14686607
spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452
(5R)-1-oxaspiro[4.4]nonan-9-one
CID 10630574
2-chloro-2-fluorocycloheptan-1-one
CID 132839395
(5S)-1-oxaspiro[4.4]nonan-9-one
CID 10606823
7-oxa-1-thiaspiro[5.5]undecan-10-one
CID 10375187
(2R,10'aR)-2'-methylspiro[1,3-oxathiolane-2,7'-8,9,10,10a-tetrahydro-5H-[1,2,4]triazolo[1,2-a]cinnoline]-1',3'-dione
CID 11808570
1,10-dioxaspiro[4.5]decan-4-one
CID 130030580
(6R)-7-oxaspiro[5.6]dodec-9-en-5-one
CID 125453613
7-oxaspiro[5.6]dodec-9-en-5-one
CID 131481474

Frequently Asked Questions

What is the IUPAC name of (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one (CID 12670326) is (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one is O=C1CCCC[C@]12OCCS2.
What is the InChIKey of (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one?
The InChIKey is QXIWWQAAIUTCKQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O2S/c9-7-3-1-2-4-8(7)10-5-6-11-8/h1-6H2/t8-/m1/s1.
What are the key properties of (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one?
(5R)-1-oxa-4-thiaspiro[4.5]decan-6-one has a molecular weight of 172.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-oxa-4-thiaspiro[4.5]decan-6-one is sourced from PubChem (CID 12670326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).