[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol

C9H16O4S — CID 102211463

IUPAC[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
SMILESOC[C@H]1CSC[C@H](CO)C12OCCO2
InChIInChI=1S/C9H16O4S/c10-3-7-5-14-6-8(4-11)9(7)12-1-2-13-9/h7-8,10-11H,1-6H2/t7-,8-/m0/s1
InChIKeyAXPCSMWHSUEWAB-YUMQZZPRSA-N
MW220.29 g/mol
LogP-0.31
Rot. Bonds2

About [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol

[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol (PubChem CID 102211463) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol.

Molecular Properties

Compound Name[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
PubChem CID102211463
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
SMILESOC[C@H]1CSC[C@H](CO)C12OCCO2
InChIInChI=1S/C9H16O4S/c10-3-7-5-14-6-8(4-11)9(7)12-1-2-13-9/h7-8,10-11H,1-6H2/t7-,8-/m0/s1
InChIKeyAXPCSMWHSUEWAB-YUMQZZPRSA-N
XLogP-0.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol with MolForge

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Related Compounds

[(6S,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211465
2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-thiopyrano[3,4-d][1,3]dioxol-4-ol
CID 124112948
1,4-Dioxa-8-thiaspiro[4.5]decan-6-ylmethanol
CID 10987066
[(6S,10S)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211464
[2-(Thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 115094471
[2-(Thian-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094491
2-[2-Methyl-2-(thian-4-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168447
[2-Methyl-2-(thian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 117168525
2-[2-(Thian-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168641
2-[2-Methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168643
[2-Methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 117168721
2-[2-(Thian-3-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168739

Frequently Asked Questions

What is the IUPAC name of [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol?
The IUPAC name of [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol (CID 102211463) is [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol.
What is the SMILES notation for [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol?
The canonical SMILES for [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol is OC[C@H]1CSC[C@H](CO)C12OCCO2.
What is the InChIKey of [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol?
The InChIKey is AXPCSMWHSUEWAB-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O4S/c10-3-7-5-14-6-8(4-11)9(7)12-1-2-13-9/h7-8,10-11H,1-6H2/t7-,8-/m0/s1.
What are the key properties of [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol?
[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol has a molecular weight of 220.29 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol is sourced from PubChem (CID 102211463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).