6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone

C13H20O3S — CID 79922260

IUPAC6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H20O3S/c14-12(11-1-4-15-8-11)10-2-5-16-13(7-10)3-6-17-9-13/h10-11H,1-9H2
InChIKeyXPPSWPZSLMCGQT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.89
Rot. Bonds2

About 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone

6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone (PubChem CID 79922260) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone.

Molecular Properties

Compound Name6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone
PubChem CID79922260
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H20O3S/c14-12(11-1-4-15-8-11)10-2-5-16-13(7-10)3-6-17-9-13/h10-11H,1-9H2
InChIKeyXPPSWPZSLMCGQT-UHFFFAOYSA-N
XLogP1.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 79913832
4,4,4-Trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-one
CID 79953142
1-(6-Oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146780
3-(2,2-Difluoroethoxy)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 113780729
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-2-(thiolan-1-ium-1-yl)ethanone
CID 21040562
6-Oxa-2-thiaspiro[4.5]decan-9-one
CID 80746829
Oxan-4-yl(thiolan-3-yl)methanone
CID 64163562
Oxolan-3-yl(thiolan-2-yl)methanone
CID 64163628
Oxolan-3-yl(thiolan-3-yl)methanone
CID 64164018
Oxan-3-yl(thiolan-3-yl)methanone
CID 64164022
Oxan-4-yl(thiolan-2-yl)methanone
CID 64164053
Oxan-3-yl(thiolan-2-yl)methanone
CID 64164283

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone?
The IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone (CID 79922260) is 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone.
What is the SMILES notation for 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone?
The canonical SMILES for 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone is O=C(C1CCOC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone?
The InChIKey is XPPSWPZSLMCGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c14-12(11-1-4-15-8-11)10-2-5-16-13(7-10)3-6-17-9-13/h10-11H,1-9H2.
What are the key properties of 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone?
6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone has a molecular weight of 256.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-thiaspiro[4.5]decan-9-yl(oxolan-3-yl)methanone is sourced from PubChem (CID 79922260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).