(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol

C9H16O2S2 — CID 132562581

IUPAC(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol
SMILESO[C@@H]1C[C@@H](O)CC2(C1)SCCCS2
InChIInChI=1S/C9H16O2S2/c10-7-4-8(11)6-9(5-7)12-2-1-3-13-9/h7-8,10-11H,1-6H2/t7-,8-/m1/s1
InChIKeyYQIAEVNZOHSCPD-HTQZYQBOSA-N
MW220.36 g/mol
LogP1.46
Rot. Bonds

About (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol

(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol (PubChem CID 132562581) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol.

Molecular Properties

Compound Name(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol
PubChem CID132562581
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Name(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol
SMILESO[C@@H]1C[C@@H](O)CC2(C1)SCCCS2
InChIInChI=1S/C9H16O2S2/c10-7-4-8(11)6-9(5-7)12-2-1-3-13-9/h7-8,10-11H,1-6H2/t7-,8-/m1/s1
InChIKeyYQIAEVNZOHSCPD-HTQZYQBOSA-N
XLogP1.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol?
The IUPAC name of (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol (CID 132562581) is (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol.
What is the SMILES notation for (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol?
The canonical SMILES for (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol is O[C@@H]1C[C@@H](O)CC2(C1)SCCCS2.
What is the InChIKey of (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol?
The InChIKey is YQIAEVNZOHSCPD-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16O2S2/c10-7-4-8(11)6-9(5-7)12-2-1-3-13-9/h7-8,10-11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol?
(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol has a molecular weight of 220.36 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol is sourced from PubChem (CID 132562581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).