8-hydroxyspiro[4.5]decane-1,4-dione

C10H14O3 — CID 150683768

IUPAC8-hydroxyspiro[4.5]decane-1,4-dione
SMILESO=C1CCC(=O)C12CCC(O)CC2
InChIInChI=1S/C10H14O3/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7,11H,1-6H2
InChIKeyJIKOLEPDODYTSG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.84
Rot. Bonds

About 8-hydroxyspiro[4.5]decane-1,4-dione

8-hydroxyspiro[4.5]decane-1,4-dione (PubChem CID 150683768) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 8-hydroxyspiro[4.5]decane-1,4-dione.

Molecular Properties

Compound Name8-hydroxyspiro[4.5]decane-1,4-dione
PubChem CID150683768
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name8-hydroxyspiro[4.5]decane-1,4-dione
SMILESO=C1CCC(=O)C12CCC(O)CC2
InChIInChI=1S/C10H14O3/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7,11H,1-6H2
InChIKeyJIKOLEPDODYTSG-UHFFFAOYSA-N
XLogP0.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxyspiro[4.5]decane-1,4-dione?
The IUPAC name of 8-hydroxyspiro[4.5]decane-1,4-dione (CID 150683768) is 8-hydroxyspiro[4.5]decane-1,4-dione.
What is the SMILES notation for 8-hydroxyspiro[4.5]decane-1,4-dione?
The canonical SMILES for 8-hydroxyspiro[4.5]decane-1,4-dione is O=C1CCC(=O)C12CCC(O)CC2.
What is the InChIKey of 8-hydroxyspiro[4.5]decane-1,4-dione?
The InChIKey is JIKOLEPDODYTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-7-3-5-10(6-4-7)8(12)1-2-9(10)13/h7,11H,1-6H2.
What are the key properties of 8-hydroxyspiro[4.5]decane-1,4-dione?
8-hydroxyspiro[4.5]decane-1,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyspiro[4.5]decane-1,4-dione is sourced from PubChem (CID 150683768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).