(4S,5R)-spiro[4.6]undecane-4,11-diol

C11H20O2 — CID 135066896

IUPAC(4S,5R)-spiro[4.6]undecane-4,11-diol
SMILESOC1CCCCC[C@]12CCC[C@@H]2O
InChIInChI=1S/C11H20O2/c12-9-5-2-1-3-7-11(9)8-4-6-10(11)13/h9-10,12-13H,1-8H2/t9?,10-,11-/m0/s1
InChIKeyQAOVUTPKZTYRTI-DVRYWGNFSA-N
MW184.28 g/mol
LogP1.84
Rot. Bonds

About (4S,5R)-spiro[4.6]undecane-4,11-diol

(4S,5R)-spiro[4.6]undecane-4,11-diol (PubChem CID 135066896) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4S,5R)-spiro[4.6]undecane-4,11-diol.

Molecular Properties

Compound Name(4S,5R)-spiro[4.6]undecane-4,11-diol
PubChem CID135066896
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4S,5R)-spiro[4.6]undecane-4,11-diol
SMILESOC1CCCCC[C@]12CCC[C@@H]2O
InChIInChI=1S/C11H20O2/c12-9-5-2-1-3-7-11(9)8-4-6-10(11)13/h9-10,12-13H,1-8H2/t9?,10-,11-/m0/s1
InChIKeyQAOVUTPKZTYRTI-DVRYWGNFSA-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 (4S,5R)-spiro[4.6]undecane-4,11-diol?
The IUPAC name of (4S,5R)-spiro[4.6]undecane-4,11-diol (CID 135066896) is (4S,5R)-spiro[4.6]undecane-4,11-diol.
What is the SMILES notation for (4S,5R)-spiro[4.6]undecane-4,11-diol?
The canonical SMILES for (4S,5R)-spiro[4.6]undecane-4,11-diol is OC1CCCCC[C@]12CCC[C@@H]2O.
What is the InChIKey of (4S,5R)-spiro[4.6]undecane-4,11-diol?
The InChIKey is QAOVUTPKZTYRTI-DVRYWGNFSA-N. The full InChI is InChI=1S/C11H20O2/c12-9-5-2-1-3-7-11(9)8-4-6-10(11)13/h9-10,12-13H,1-8H2/t9?,10-,11-/m0/s1.
What are the key properties of (4S,5R)-spiro[4.6]undecane-4,11-diol?
(4S,5R)-spiro[4.6]undecane-4,11-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 (4S,5R)-spiro[4.6]undecane-4,11-diol is sourced from PubChem (CID 135066896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).