(6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol

C14H18O3S — CID 101098846

IUPAC(6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESO[C@@H]1CCC2(OCCO2)[C@H](Sc2ccccc2)C1
InChIInChI=1S/C14H18O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-5,11,13,15H,6-10H2/t11-,13-/m1/s1
InChIKeyGXELGLRLIKODHC-DGCLKSJQSA-N
MW266.36 g/mol
LogP2.44
Rot. Bonds2

About (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol

(6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 101098846) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name(6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID101098846
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name(6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESO[C@@H]1CCC2(OCCO2)[C@H](Sc2ccccc2)C1
InChIInChI=1S/C14H18O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-5,11,13,15H,6-10H2/t11-,13-/m1/s1
InChIKeyGXELGLRLIKODHC-DGCLKSJQSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-phenylsulfanylcyclohexan-1-ol
CID 11117279
(2S,3R,6S)-2-methyl-6-phenylsulfanyloxan-3-ol
CID 143275725
(3'R,4'aR,8'S,8'aR)-8'-hydroxy-3'-phenylsulfanylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydronaphthalene]-1'-one
CID 11232837
(2-bromo-2-methylcyclopropyl)sulfanylbenzene
CID 595999
3-methyl-3-(2-phenylsulfanylethyl)cyclopentan-1-ol
CID 116539879
1-hydroxy-5-phenylsulfanylspiro[5.5]undecan-11-one
CID 12555690
(1R,2R,5S)-2-methoxy-2-methyl-5-phenylsulfanylcyclohexan-1-ol
CID 164781534
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol
CID 71423247
(2S,3R,5S)-2,5-dimethyl-3-phenylsulfanyl-2-prop-2-enyloxolane
CID 100944567
methyl (1S,2S,4R)-1,2-dicyano-4-phenylsulfanylcyclobutane-1-carboxylate
CID 134918554
(3S)-5-hydroxy-3-phenylsulfanyloxolan-2-one
CID 131853660

Frequently Asked Questions

What is the IUPAC name of (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 101098846) is (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol is O[C@@H]1CCC2(OCCO2)[C@H](Sc2ccccc2)C1.
What is the InChIKey of (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is GXELGLRLIKODHC-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H18O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-5,11,13,15H,6-10H2/t11-,13-/m1/s1.
What are the key properties of (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol?
(6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 266.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 101098846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).