5-phenylsulfanyl-1-oxaspiro[5.5]undecane

C16H22OS — CID 15456622

IUPAC5-phenylsulfanyl-1-oxaspiro[5.5]undecane
SMILESc1ccc(SC2CCCOC23CCCCC3)cc1
InChIInChI=1S/C16H22OS/c1-3-8-14(9-4-1)18-15-10-7-13-17-16(15)11-5-2-6-12-16/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyOBJCDZAUPBUQHV-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.66
Rot. Bonds2

About 5-phenylsulfanyl-1-oxaspiro[5.5]undecane

5-phenylsulfanyl-1-oxaspiro[5.5]undecane (PubChem CID 15456622) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 5-phenylsulfanyl-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name5-phenylsulfanyl-1-oxaspiro[5.5]undecane
PubChem CID15456622
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name5-phenylsulfanyl-1-oxaspiro[5.5]undecane
SMILESc1ccc(SC2CCCOC23CCCCC3)cc1
InChIInChI=1S/C16H22OS/c1-3-8-14(9-4-1)18-15-10-7-13-17-16(15)11-5-2-6-12-16/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyOBJCDZAUPBUQHV-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane
CID 298574
(3S,4S,6S)-2-ethyl-6-(4-fluorophenyl)sulfanyl-3,4,5-trimethyloxane
CID 174062837
(Phenylthio)acetic acid, 2-ethylcyclohexyl ester
CID 533053
2-Cyclohexyl-2-phenylsulfanylethanol
CID 69954408
4-[Bis(phenylsulfanyl)methoxy]butylbenzene
CID 11245986
(3R,4aR,7R,8aR)-2,2,6,6-tetramethyl-3,7-bis(phenylsulfanyl)-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 11258503
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
3-[3,3-Bis(phenylsulfanyl)propoxy]propylbenzene
CID 11452225
1-(1-Phenylsulfanylethyl)cyclohexan-1-ol
CID 11736509
(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane
CID 14608964

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanyl-1-oxaspiro[5.5]undecane?
The IUPAC name of 5-phenylsulfanyl-1-oxaspiro[5.5]undecane (CID 15456622) is 5-phenylsulfanyl-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 5-phenylsulfanyl-1-oxaspiro[5.5]undecane?
The canonical SMILES for 5-phenylsulfanyl-1-oxaspiro[5.5]undecane is c1ccc(SC2CCCOC23CCCCC3)cc1.
What is the InChIKey of 5-phenylsulfanyl-1-oxaspiro[5.5]undecane?
The InChIKey is OBJCDZAUPBUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-3-8-14(9-4-1)18-15-10-7-13-17-16(15)11-5-2-6-12-16/h1,3-4,8-9,15H,2,5-7,10-13H2.
What are the key properties of 5-phenylsulfanyl-1-oxaspiro[5.5]undecane?
5-phenylsulfanyl-1-oxaspiro[5.5]undecane has a molecular weight of 262.42 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyl-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 15456622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).