2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione

C14H18O5 — CID 68534566

IUPAC2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione
SMILESO=C1CCC(=O)C(C2CC(=O)CCC23OCCO3)C1
InChIInChI=1S/C14H18O5/c15-9-1-2-13(17)11(7-9)12-8-10(16)3-4-14(12)18-5-6-19-14/h11-12H,1-8H2
InChIKeyTVBKUTQQCTYTDE-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.04
Rot. Bonds1

About 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione

2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione (PubChem CID 68534566) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione.

Molecular Properties

Compound Name2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione
PubChem CID68534566
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione
SMILESO=C1CCC(=O)C(C2CC(=O)CCC23OCCO3)C1
InChIInChI=1S/C14H18O5/c15-9-1-2-13(17)11(7-9)12-8-10(16)3-4-14(12)18-5-6-19-14/h11-12H,1-8H2
InChIKeyTVBKUTQQCTYTDE-UHFFFAOYSA-N
XLogP1.04
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione?
The IUPAC name of 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione (CID 68534566) is 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione.
What is the SMILES notation for 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione?
The canonical SMILES for 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione is O=C1CCC(=O)C(C2CC(=O)CCC23OCCO3)C1.
What is the InChIKey of 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione?
The InChIKey is TVBKUTQQCTYTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c15-9-1-2-13(17)11(7-9)12-8-10(16)3-4-14(12)18-5-6-19-14/h11-12H,1-8H2.
What are the key properties of 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione?
2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione has a molecular weight of 266.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxo-1,4-dioxaspiro[4.5]decan-6-yl)cyclohexane-1,4-dione is sourced from PubChem (CID 68534566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).