(2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one

C11H18O2 — CID 15419449

IUPAC(2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one
SMILESCC1(C)C[C@@H](O)C[C@@]12CCCC2=O
InChIInChI=1S/C11H18O2/c1-10(2)6-8(12)7-11(10)5-3-4-9(11)13/h8,12H,3-7H2,1-2H3/t8-,11-/m1/s1
InChIKeyGVJVQUNFISBOMI-LDYMZIIASA-N
MW182.26 g/mol
LogP1.91
Rot. Bonds

About (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one

(2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one (PubChem CID 15419449) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name(2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one
PubChem CID15419449
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one
SMILESCC1(C)C[C@@H](O)C[C@@]12CCCC2=O
InChIInChI=1S/C11H18O2/c1-10(2)6-8(12)7-11(10)5-3-4-9(11)13/h8,12H,3-7H2,1-2H3/t8-,11-/m1/s1
InChIKeyGVJVQUNFISBOMI-LDYMZIIASA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one?
The IUPAC name of (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one (CID 15419449) is (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one.
What is the SMILES notation for (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one?
The canonical SMILES for (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one is CC1(C)C[C@@H](O)C[C@@]12CCCC2=O.
What is the InChIKey of (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one?
The InChIKey is GVJVQUNFISBOMI-LDYMZIIASA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-8(12)7-11(10)5-3-4-9(11)13/h8,12H,3-7H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one?
(2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one has a molecular weight of 182.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-hydroxy-4,4-dimethylspiro[4.4]nonan-9-one is sourced from PubChem (CID 15419449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).