(5R,11S)-spiro[5.5]undecane-5,11-diol

C11H20O2 — CID 10997722

IUPAC(5R,11S)-spiro[5.5]undecane-5,11-diol
SMILESO[C@@H]1CCCCC12CCCC[C@@H]2O
InChIInChI=1S/C11H20O2/c12-9-5-1-3-7-11(9)8-4-2-6-10(11)13/h9-10,12-13H,1-8H2/t9-,10+,11?
InChIKeyZESWSZILXOPASX-ZACCUICWSA-N
MW184.28 g/mol
LogP1.84
Rot. Bonds

About (5R,11S)-spiro[5.5]undecane-5,11-diol

(5R,11S)-spiro[5.5]undecane-5,11-diol (PubChem CID 10997722) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5R,11S)-spiro[5.5]undecane-5,11-diol.

Molecular Properties

Compound Name(5R,11S)-spiro[5.5]undecane-5,11-diol
PubChem CID10997722
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5R,11S)-spiro[5.5]undecane-5,11-diol
SMILESO[C@@H]1CCCCC12CCCC[C@@H]2O
InChIInChI=1S/C11H20O2/c12-9-5-1-3-7-11(9)8-4-2-6-10(11)13/h9-10,12-13H,1-8H2/t9-,10+,11?
InChIKeyZESWSZILXOPASX-ZACCUICWSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,11S)-spiro[5.5]undecane-5,11-diol?
The IUPAC name of (5R,11S)-spiro[5.5]undecane-5,11-diol (CID 10997722) is (5R,11S)-spiro[5.5]undecane-5,11-diol.
What is the SMILES notation for (5R,11S)-spiro[5.5]undecane-5,11-diol?
The canonical SMILES for (5R,11S)-spiro[5.5]undecane-5,11-diol is O[C@@H]1CCCCC12CCCC[C@@H]2O.
What is the InChIKey of (5R,11S)-spiro[5.5]undecane-5,11-diol?
The InChIKey is ZESWSZILXOPASX-ZACCUICWSA-N. The full InChI is InChI=1S/C11H20O2/c12-9-5-1-3-7-11(9)8-4-2-6-10(11)13/h9-10,12-13H,1-8H2/t9-,10+,11?.
What are the key properties of (5R,11S)-spiro[5.5]undecane-5,11-diol?
(5R,11S)-spiro[5.5]undecane-5,11-diol has a molecular weight of 184.28 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,11S)-spiro[5.5]undecane-5,11-diol is sourced from PubChem (CID 10997722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).