3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one

C13H20O3 — CID 58562539

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one
SMILESO=C1CCC(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C13H20O3/c14-12-2-1-11(9-12)10-3-5-13(6-4-10)15-7-8-16-13/h10-11H,1-9H2
InChIKeyOQNORRRGNWRTCD-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.29
Rot. Bonds1

About 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one

3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one (PubChem CID 58562539) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one
PubChem CID58562539
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one
SMILESO=C1CCC(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C13H20O3/c14-12-2-1-11(9-12)10-3-5-13(6-4-10)15-7-8-16-13/h10-11H,1-9H2
InChIKeyOQNORRRGNWRTCD-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one (CID 58562539) is 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one is O=C1CCC(C2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one?
The InChIKey is OQNORRRGNWRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-12-2-1-11(9-12)10-3-5-13(6-4-10)15-7-8-16-13/h10-11H,1-9H2.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one?
3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one has a molecular weight of 224.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-8-yl)cyclopentan-1-one is sourced from PubChem (CID 58562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).