8-oxaspiro[4.5]decan-3-one

C9H14O2 — CID 117274032

IUPAC8-oxaspiro[4.5]decan-3-one
SMILESO=C1CCC2(CCOCC2)C1
InChIInChI=1S/C9H14O2/c10-8-1-2-9(7-8)3-5-11-6-4-9/h1-7H2
InChIKeySKJAHPSDZZYSIG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.54
Rot. Bonds

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

8-oxaspiro[4.5]decan-3-one (PubChem CID 117274032) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 8-oxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-oxaspiro[4.5]decan-3-one
PubChem CID117274032
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name8-oxaspiro[4.5]decan-3-one
SMILESO=C1CCC2(CCOCC2)C1
InChIInChI=1S/C9H14O2/c10-8-1-2-9(7-8)3-5-11-6-4-9/h1-7H2
InChIKeySKJAHPSDZZYSIG-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxaspiro[4.5]decan-3-one?
The IUPAC name of 8-oxaspiro[4.5]decan-3-one (CID 117274032) is 8-oxaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-oxaspiro[4.5]decan-3-one?
The canonical SMILES for 8-oxaspiro[4.5]decan-3-one is O=C1CCC2(CCOCC2)C1.
What is the InChIKey of 8-oxaspiro[4.5]decan-3-one?
The InChIKey is SKJAHPSDZZYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8-1-2-9(7-8)3-5-11-6-4-9/h1-7H2.
What are the key properties of 8-oxaspiro[4.5]decan-3-one?
8-oxaspiro[4.5]decan-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxaspiro[4.5]decan-3-one is sourced from PubChem (CID 117274032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).