3-hydroxy-1-oxaspiro[4.5]decan-8-one

C9H14O3 — CID 59200776

IUPAC3-hydroxy-1-oxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1)CC(O)CO2
InChIInChI=1S/C9H14O3/c10-7-1-3-9(4-2-7)5-8(11)6-12-9/h8,11H,1-6H2
InChIKeyCHAHOOKZNFPPDZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.65
Rot. Bonds

About 3-hydroxy-1-oxaspiro[4.5]decan-8-one

3-hydroxy-1-oxaspiro[4.5]decan-8-one (PubChem CID 59200776) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-hydroxy-1-oxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name3-hydroxy-1-oxaspiro[4.5]decan-8-one
PubChem CID59200776
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-hydroxy-1-oxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1)CC(O)CO2
InChIInChI=1S/C9H14O3/c10-7-1-3-9(4-2-7)5-8(11)6-12-9/h8,11H,1-6H2
InChIKeyCHAHOOKZNFPPDZ-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-oxaspiro[4.5]decan-8-one?
The IUPAC name of 3-hydroxy-1-oxaspiro[4.5]decan-8-one (CID 59200776) is 3-hydroxy-1-oxaspiro[4.5]decan-8-one.
What is the SMILES notation for 3-hydroxy-1-oxaspiro[4.5]decan-8-one?
The canonical SMILES for 3-hydroxy-1-oxaspiro[4.5]decan-8-one is O=C1CCC2(CC1)CC(O)CO2.
What is the InChIKey of 3-hydroxy-1-oxaspiro[4.5]decan-8-one?
The InChIKey is CHAHOOKZNFPPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-1-3-9(4-2-7)5-8(11)6-12-9/h8,11H,1-6H2.
What are the key properties of 3-hydroxy-1-oxaspiro[4.5]decan-8-one?
3-hydroxy-1-oxaspiro[4.5]decan-8-one has a molecular weight of 170.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-oxaspiro[4.5]decan-8-one is sourced from PubChem (CID 59200776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).