1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol

C13H24O2S — CID 79921106

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol
SMILESCCCSCC(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H24O2S/c1-2-8-16-10-12(14)11-4-7-15-13(9-11)5-3-6-13/h11-12,14H,2-10H2,1H3
InChIKeyXKJYSNZOYUJVMM-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.84
Rot. Bonds5

About 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol

1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol (PubChem CID 79921106) has the molecular formula C13H24O2S and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol
PubChem CID79921106
Molecular FormulaC13H24O2S
Molecular Weight244.40 g/mol
Exact Mass244.15
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol
SMILESCCCSCC(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H24O2S/c1-2-8-16-10-12(14)11-4-7-15-13(9-11)5-3-6-13/h11-12,14H,2-10H2,1H3
InChIKeyXKJYSNZOYUJVMM-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79921924
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
CID 79912014
1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
CID 79924322
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927
1-(oxan-4-yl)-2-propylsulfanylethanol
CID 65129416
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-ol
CID 79913392
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol (CID 79921106) is 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol is CCCSCC(O)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol?
The InChIKey is XKJYSNZOYUJVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2S/c1-2-8-16-10-12(14)11-4-7-15-13(9-11)5-3-6-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol?
1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol has a molecular weight of 244.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol is sourced from PubChem (CID 79921106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).