1,10-dioxaspiro[4.5]decane-2,9-dione

C8H10O4 — CID 69129924

IUPAC1,10-dioxaspiro[4.5]decane-2,9-dione
SMILESO=C1CCCC2(CCC(=O)O2)O1
InChIInChI=1S/C8H10O4/c9-6-2-1-4-8(11-6)5-3-7(10)12-8/h1-5H2
InChIKeyXFXQDGOPZFTESB-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.75
Rot. Bonds

About 1,10-dioxaspiro[4.5]decane-2,9-dione

1,10-dioxaspiro[4.5]decane-2,9-dione (PubChem CID 69129924) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 1,10-dioxaspiro[4.5]decane-2,9-dione.

Molecular Properties

Compound Name1,10-dioxaspiro[4.5]decane-2,9-dione
PubChem CID69129924
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name1,10-dioxaspiro[4.5]decane-2,9-dione
SMILESO=C1CCCC2(CCC(=O)O2)O1
InChIInChI=1S/C8H10O4/c9-6-2-1-4-8(11-6)5-3-7(10)12-8/h1-5H2
InChIKeyXFXQDGOPZFTESB-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,10-dioxaspiro[4.5]decane-2,9-dione?
The IUPAC name of 1,10-dioxaspiro[4.5]decane-2,9-dione (CID 69129924) is 1,10-dioxaspiro[4.5]decane-2,9-dione.
What is the SMILES notation for 1,10-dioxaspiro[4.5]decane-2,9-dione?
The canonical SMILES for 1,10-dioxaspiro[4.5]decane-2,9-dione is O=C1CCCC2(CCC(=O)O2)O1.
What is the InChIKey of 1,10-dioxaspiro[4.5]decane-2,9-dione?
The InChIKey is XFXQDGOPZFTESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-6-2-1-4-8(11-6)5-3-7(10)12-8/h1-5H2.
What are the key properties of 1,10-dioxaspiro[4.5]decane-2,9-dione?
1,10-dioxaspiro[4.5]decane-2,9-dione has a molecular weight of 170.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dioxaspiro[4.5]decane-2,9-dione is sourced from PubChem (CID 69129924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).