2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol

C13H24O2S2 — CID 79921924

IUPAC2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
SMILESCCSCC(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H24O2S2/c1-2-16-10-12(14)11-3-6-15-13(9-11)4-7-17-8-5-13/h11-12,14H,2-10H2,1H3
InChIKeyLFYPUIWASGXZOS-UHFFFAOYSA-N
MW276.47 g/mol
LogP2.79
Rot. Bonds4

About 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol

2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79921924) has the molecular formula C13H24O2S2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79921924
Molecular FormulaC13H24O2S2
Molecular Weight276.47 g/mol
Exact Mass276.12
IUPAC Name2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
SMILESCCSCC(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H24O2S2/c1-2-16-10-12(14)11-3-6-15-13(9-11)4-7-17-8-5-13/h11-12,14H,2-10H2,1H3
InChIKeyLFYPUIWASGXZOS-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79924056
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol
CID 79921106
3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 103027641
4,4,4-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 79954233
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911407
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79921016
2-(2-methylphenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79910750
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol (CID 79921924) is 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol is CCSCC(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is LFYPUIWASGXZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2S2/c1-2-16-10-12(14)11-3-6-15-13(9-11)4-7-17-8-5-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol?
2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 276.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79921924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).