1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C13H22O3S2 — CID 79962909

IUPAC1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(C1CCOC2(CCSC2)C1)C1CSCCO1
InChIInChI=1S/C13H22O3S2/c14-12(11-8-17-6-4-15-11)10-1-3-16-13(7-10)2-5-18-9-13/h10-12,14H,1-9H2
InChIKeyZEOWKTRWWGGZFS-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.78
Rot. Bonds2

About 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79962909) has the molecular formula C13H22O3S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79962909
Molecular FormulaC13H22O3S2
Molecular Weight290.45 g/mol
Exact Mass290.10
IUPAC Name1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(C1CCOC2(CCSC2)C1)C1CSCCO1
InChIInChI=1S/C13H22O3S2/c14-12(11-8-17-6-4-15-11)10-1-3-16-13(7-10)2-5-18-9-13/h10-12,14H,1-9H2
InChIKeyZEOWKTRWWGGZFS-UHFFFAOYSA-N
XLogP1.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
CID 79963284
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79906629
(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921218
[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105249551
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921658
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
1,4-oxathian-2-yl(oxolan-3-yl)methanol
CID 79963788
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
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)-2-(oxolan-2-yl)ethanol
CID 79922366

Frequently Asked Questions

What is the IUPAC name of 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79962909) is 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is OC(C1CCOC2(CCSC2)C1)C1CSCCO1.
What is the InChIKey of 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is ZEOWKTRWWGGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S2/c14-12(11-8-17-6-4-15-11)10-1-3-16-13(7-10)2-5-18-9-13/h10-12,14H,1-9H2.
What are the key properties of 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 290.45 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79962909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).