8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane

C14H18O2S — CID 14469714

IUPAC8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane
SMILESc1ccc(SC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H18O2S/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)15-10-11-16-14/h1-5,13H,6-11H2
InChIKeyRURKSPMMSPMBOZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.46
Rot. Bonds2

About 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane

8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane (PubChem CID 14469714) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane
PubChem CID14469714
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane
SMILESc1ccc(SC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H18O2S/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)15-10-11-16-14/h1-5,13H,6-11H2
InChIKeyRURKSPMMSPMBOZ-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Phenylthio)acetic acid, cyclohexyl ester
CID 533051
2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
4-[Fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one
CID 11276240
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852
8-(2-Phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane
CID 86208240
4-Phenylthiomethyl-1,3-dioxolan-2-one
CID 11195172
4-Phenylsulfanyl-[1,3]dioxolan-2-one
CID 11287057
3-Methyl-3-(phenylsulfanylmethyl)-1,2,5-trioxaspiro[5.5]undecane
CID 11702072
8-(3-(Trifluoromethyl)phenylthio)-1,4-dioxaspiro[4.5]decane
CID 67054767
8-[4-(Trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane
CID 69192341
2-(Phenylsulfanylmethyl)-1,3-dioxolane
CID 10488127
2-Phenylsulfanyl-1,3-dioxolane
CID 14388133

Frequently Asked Questions

What is the IUPAC name of 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane (CID 14469714) is 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane is c1ccc(SC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is RURKSPMMSPMBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)15-10-11-16-14/h1-5,13H,6-11H2.
What are the key properties of 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane?
8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 250.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylsulfanyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 14469714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).