1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol

C14H24O3S — CID 79922366

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol
SMILESOC(CC1CCCO1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24O3S/c15-13(8-12-2-1-5-16-12)11-3-6-17-14(9-11)4-7-18-10-14/h11-13,15H,1-10H2
InChIKeyVHNKRHVSZHIOIM-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.22
Rot. Bonds3

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol (PubChem CID 79922366) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol
PubChem CID79922366
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol
SMILESOC(CC1CCCO1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24O3S/c15-13(8-12-2-1-5-16-12)11-3-6-17-14(9-11)4-7-18-10-14/h11-13,15H,1-10H2
InChIKeyVHNKRHVSZHIOIM-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79921016
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanamine
CID 79914621
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
N-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(oxolan-2-yl)propan-1-amine
CID 105017697
N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 105017880
2-(2-methylphenyl)sulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79910750
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
CID 79913037
1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79962909

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol (CID 79922366) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol is OC(CC1CCCO1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol?
The InChIKey is VHNKRHVSZHIOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c15-13(8-12-2-1-5-16-12)11-3-6-17-14(9-11)4-7-18-10-14/h11-13,15H,1-10H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol has a molecular weight of 272.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 79922366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).