(6S)-11-hydroxyspiro[5.5]undecan-5-one

C11H18O2 — CID 157212438

IUPAC(6S)-11-hydroxyspiro[5.5]undecan-5-one
SMILESO=C1CCCC[C@]12CCCCC2O
InChIInChI=1S/C11H18O2/c12-9-5-1-3-7-11(9)8-4-2-6-10(11)13/h9,12H,1-8H2/t9?,11-/m0/s1
InChIKeyKIHRHPOBDCSROY-UMJHXOGRSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds

About (6S)-11-hydroxyspiro[5.5]undecan-5-one

(6S)-11-hydroxyspiro[5.5]undecan-5-one (PubChem CID 157212438) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (6S)-11-hydroxyspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name(6S)-11-hydroxyspiro[5.5]undecan-5-one
PubChem CID157212438
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(6S)-11-hydroxyspiro[5.5]undecan-5-one
SMILESO=C1CCCC[C@]12CCCCC2O
InChIInChI=1S/C11H18O2/c12-9-5-1-3-7-11(9)8-4-2-6-10(11)13/h9,12H,1-8H2/t9?,11-/m0/s1
InChIKeyKIHRHPOBDCSROY-UMJHXOGRSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-11-hydroxyspiro[5.5]undecan-5-one?
The IUPAC name of (6S)-11-hydroxyspiro[5.5]undecan-5-one (CID 157212438) is (6S)-11-hydroxyspiro[5.5]undecan-5-one.
What is the SMILES notation for (6S)-11-hydroxyspiro[5.5]undecan-5-one?
The canonical SMILES for (6S)-11-hydroxyspiro[5.5]undecan-5-one is O=C1CCCC[C@]12CCCCC2O.
What is the InChIKey of (6S)-11-hydroxyspiro[5.5]undecan-5-one?
The InChIKey is KIHRHPOBDCSROY-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H18O2/c12-9-5-1-3-7-11(9)8-4-2-6-10(11)13/h9,12H,1-8H2/t9?,11-/m0/s1.
What are the key properties of (6S)-11-hydroxyspiro[5.5]undecan-5-one?
(6S)-11-hydroxyspiro[5.5]undecan-5-one has a molecular weight of 182.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-11-hydroxyspiro[5.5]undecan-5-one is sourced from PubChem (CID 157212438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).