6-oxaspiro[4.5]decan-4-one

C9H14O2 — CID 126970850

IUPAC6-oxaspiro[4.5]decan-4-one
SMILESO=C1CCCC12CCCCO2
InChIInChI=1S/C9H14O2/c10-8-4-3-6-9(8)5-1-2-7-11-9/h1-7H2
InChIKeyZRWPOLCEDHTCBJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.68
Rot. Bonds

About 6-oxaspiro[4.5]decan-4-one

6-oxaspiro[4.5]decan-4-one (PubChem CID 126970850) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-4-one
PubChem CID126970850
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-oxaspiro[4.5]decan-4-one
SMILESO=C1CCCC12CCCCO2
InChIInChI=1S/C9H14O2/c10-8-4-3-6-9(8)5-1-2-7-11-9/h1-7H2
InChIKeyZRWPOLCEDHTCBJ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-4-one?
The IUPAC name of 6-oxaspiro[4.5]decan-4-one (CID 126970850) is 6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for 6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for 6-oxaspiro[4.5]decan-4-one is O=C1CCCC12CCCCO2.
What is the InChIKey of 6-oxaspiro[4.5]decan-4-one?
The InChIKey is ZRWPOLCEDHTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8-4-3-6-9(8)5-1-2-7-11-9/h1-7H2.
What are the key properties of 6-oxaspiro[4.5]decan-4-one?
6-oxaspiro[4.5]decan-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 126970850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).