6-oxa-2-thiaspiro[4.5]decan-9-one

C8H12O2S — CID 80746829

IUPAC6-oxa-2-thiaspiro[4.5]decan-9-one
SMILESO=C1CCOC2(CCSC2)C1
InChIInChI=1S/C8H12O2S/c9-7-1-3-10-8(5-7)2-4-11-6-8/h1-6H2
InChIKeyMUDIGSJQANRUBS-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.24
Rot. Bonds

About 6-oxa-2-thiaspiro[4.5]decan-9-one

6-oxa-2-thiaspiro[4.5]decan-9-one (PubChem CID 80746829) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 6-oxa-2-thiaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name6-oxa-2-thiaspiro[4.5]decan-9-one
PubChem CID80746829
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name6-oxa-2-thiaspiro[4.5]decan-9-one
SMILESO=C1CCOC2(CCSC2)C1
InChIInChI=1S/C8H12O2S/c9-7-1-3-10-8(5-7)2-4-11-6-8/h1-6H2
InChIKeyMUDIGSJQANRUBS-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-6-(methoxymethyl)thiane-2,5-dione
CID 134433648
2,2-Dioxo-6-oxa-2lambda6-thiaspiro[4.5]decan-9-one
CID 64106681
Oxan-4-yl(thiolan-3-yl)methanone
CID 64163562
Oxolan-3-yl(thiolan-3-yl)methanone
CID 64164018
Oxan-3-yl(thiolan-3-yl)methanone
CID 64164022
Oxan-3-yl(thiolan-2-yl)methanone
CID 64164283
3-Methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 79912456
1-(6-Oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
CID 79912682
1-(1-Oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone
CID 79912791
1-(6-Oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanone
CID 79913356
2-Ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
CID 79921148
1-(6-Oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylsulfanylethanone
CID 79921441

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-one?
The IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-one (CID 80746829) is 6-oxa-2-thiaspiro[4.5]decan-9-one.
What is the SMILES notation for 6-oxa-2-thiaspiro[4.5]decan-9-one?
The canonical SMILES for 6-oxa-2-thiaspiro[4.5]decan-9-one is O=C1CCOC2(CCSC2)C1.
What is the InChIKey of 6-oxa-2-thiaspiro[4.5]decan-9-one?
The InChIKey is MUDIGSJQANRUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c9-7-1-3-10-8(5-7)2-4-11-6-8/h1-6H2.
What are the key properties of 6-oxa-2-thiaspiro[4.5]decan-9-one?
6-oxa-2-thiaspiro[4.5]decan-9-one has a molecular weight of 172.25 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-thiaspiro[4.5]decan-9-one is sourced from PubChem (CID 80746829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).