8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one

C9H14O3 — CID 168654917

IUPAC8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one
SMILESCC1(O)CCC2(CCOC2=O)C1
InChIInChI=1S/C9H14O3/c1-8(11)2-3-9(6-8)4-5-12-7(9)10/h11H,2-6H2,1H3
InChIKeyUEMRLSMGPUOZNF-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds

About 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one

8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one (PubChem CID 168654917) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one
PubChem CID168654917
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one
SMILESCC1(O)CCC2(CCOC2=O)C1
InChIInChI=1S/C9H14O3/c1-8(11)2-3-9(6-8)4-5-12-7(9)10/h11H,2-6H2,1H3
InChIKeyUEMRLSMGPUOZNF-UHFFFAOYSA-N
XLogP0.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one (CID 168654917) is 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one is CC1(O)CCC2(CCOC2=O)C1.
What is the InChIKey of 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is UEMRLSMGPUOZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-8(11)2-3-9(6-8)4-5-12-7(9)10/h11H,2-6H2,1H3.
What are the key properties of 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one?
8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 170.21 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-methyl-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 168654917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).