(9S)-9-hydroxyspiro[4.4]nonan-4-one

C9H14O2 — CID 10702031

IUPAC(9S)-9-hydroxyspiro[4.4]nonan-4-one
SMILESO=C1CCCC12CCC[C@@H]2O
InChIInChI=1S/C9H14O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7,10H,1-6H2/t7-,9?/m0/s1
InChIKeyFCWDRAGOVZZSOY-JAVCKPHESA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds

About (9S)-9-hydroxyspiro[4.4]nonan-4-one

(9S)-9-hydroxyspiro[4.4]nonan-4-one (PubChem CID 10702031) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (9S)-9-hydroxyspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name(9S)-9-hydroxyspiro[4.4]nonan-4-one
PubChem CID10702031
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(9S)-9-hydroxyspiro[4.4]nonan-4-one
SMILESO=C1CCCC12CCC[C@@H]2O
InChIInChI=1S/C9H14O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7,10H,1-6H2/t7-,9?/m0/s1
InChIKeyFCWDRAGOVZZSOY-JAVCKPHESA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9S)-9-hydroxyspiro[4.4]nonan-4-one?
The IUPAC name of (9S)-9-hydroxyspiro[4.4]nonan-4-one (CID 10702031) is (9S)-9-hydroxyspiro[4.4]nonan-4-one.
What is the SMILES notation for (9S)-9-hydroxyspiro[4.4]nonan-4-one?
The canonical SMILES for (9S)-9-hydroxyspiro[4.4]nonan-4-one is O=C1CCCC12CCC[C@@H]2O.
What is the InChIKey of (9S)-9-hydroxyspiro[4.4]nonan-4-one?
The InChIKey is FCWDRAGOVZZSOY-JAVCKPHESA-N. The full InChI is InChI=1S/C9H14O2/c10-7-3-1-5-9(7)6-2-4-8(9)11/h7,10H,1-6H2/t7-,9?/m0/s1.
What are the key properties of (9S)-9-hydroxyspiro[4.4]nonan-4-one?
(9S)-9-hydroxyspiro[4.4]nonan-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-hydroxyspiro[4.4]nonan-4-one is sourced from PubChem (CID 10702031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).