(4S,5R)-4-hydroxyspiro[4.6]undecan-11-one

C11H18O2 — CID 10487688

IUPAC(4S,5R)-4-hydroxyspiro[4.6]undecan-11-one
SMILESO=C1CCCCC[C@]12CCC[C@@H]2O
InChIInChI=1S/C11H18O2/c12-9-5-2-1-3-7-11(9)8-4-6-10(11)13/h10,13H,1-8H2/t10-,11-/m0/s1
InChIKeyQCWIBIGIPMNMDA-QWRGUYRKSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds

About (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one

(4S,5R)-4-hydroxyspiro[4.6]undecan-11-one (PubChem CID 10487688) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one.

Molecular Properties

Compound Name(4S,5R)-4-hydroxyspiro[4.6]undecan-11-one
PubChem CID10487688
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4S,5R)-4-hydroxyspiro[4.6]undecan-11-one
SMILESO=C1CCCCC[C@]12CCC[C@@H]2O
InChIInChI=1S/C11H18O2/c12-9-5-2-1-3-7-11(9)8-4-6-10(11)13/h10,13H,1-8H2/t10-,11-/m0/s1
InChIKeyQCWIBIGIPMNMDA-QWRGUYRKSA-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 (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one?
The IUPAC name of (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one (CID 10487688) is (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one.
What is the SMILES notation for (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one?
The canonical SMILES for (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one is O=C1CCCCC[C@]12CCC[C@@H]2O.
What is the InChIKey of (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one?
The InChIKey is QCWIBIGIPMNMDA-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O2/c12-9-5-2-1-3-7-11(9)8-4-6-10(11)13/h10,13H,1-8H2/t10-,11-/m0/s1.
What are the key properties of (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one?
(4S,5R)-4-hydroxyspiro[4.6]undecan-11-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 (4S,5R)-4-hydroxyspiro[4.6]undecan-11-one is sourced from PubChem (CID 10487688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).