4-hydroxy-1-oxaspiro[4.5]decan-2-one

C9H14O3 — CID 166444683

IUPAC4-hydroxy-1-oxaspiro[4.5]decan-2-one
SMILESO=C1CC(O)C2(CCCCC2)O1
InChIInChI=1S/C9H14O3/c10-7-6-8(11)12-9(7)4-2-1-3-5-9/h7,10H,1-6H2
InChIKeyNGHJPGAMXIQXES-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.00
Rot. Bonds

About 4-hydroxy-1-oxaspiro[4.5]decan-2-one

4-hydroxy-1-oxaspiro[4.5]decan-2-one (PubChem CID 166444683) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-hydroxy-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-hydroxy-1-oxaspiro[4.5]decan-2-one
PubChem CID166444683
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-hydroxy-1-oxaspiro[4.5]decan-2-one
SMILESO=C1CC(O)C2(CCCCC2)O1
InChIInChI=1S/C9H14O3/c10-7-6-8(11)12-9(7)4-2-1-3-5-9/h7,10H,1-6H2
InChIKeyNGHJPGAMXIQXES-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 4-hydroxy-1-oxaspiro[4.5]decan-2-one (CID 166444683) is 4-hydroxy-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-hydroxy-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 4-hydroxy-1-oxaspiro[4.5]decan-2-one is O=C1CC(O)C2(CCCCC2)O1.
What is the InChIKey of 4-hydroxy-1-oxaspiro[4.5]decan-2-one?
The InChIKey is NGHJPGAMXIQXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-6-8(11)12-9(7)4-2-1-3-5-9/h7,10H,1-6H2.
What are the key properties of 4-hydroxy-1-oxaspiro[4.5]decan-2-one?
4-hydroxy-1-oxaspiro[4.5]decan-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 166444683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).