2,5-dioxaspiro[3.4]octan-8-one

C6H8O3 — CID 155894796

IUPAC2,5-dioxaspiro[3.4]octan-8-one
SMILESO=C1CCOC12COC2
InChIInChI=1S/C6H8O3/c7-5-1-2-9-6(5)3-8-4-6/h1-4H2
InChIKeyUQWCYSCPRFGDGT-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.26
Rot. Bonds

About 2,5-dioxaspiro[3.4]octan-8-one

2,5-dioxaspiro[3.4]octan-8-one (PubChem CID 155894796) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2,5-dioxaspiro[3.4]octan-8-one.

Molecular Properties

Compound Name2,5-dioxaspiro[3.4]octan-8-one
PubChem CID155894796
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2,5-dioxaspiro[3.4]octan-8-one
SMILESO=C1CCOC12COC2
InChIInChI=1S/C6H8O3/c7-5-1-2-9-6(5)3-8-4-6/h1-4H2
InChIKeyUQWCYSCPRFGDGT-UHFFFAOYSA-N
XLogP-0.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxaspiro[3.4]octan-8-one?
The IUPAC name of 2,5-dioxaspiro[3.4]octan-8-one (CID 155894796) is 2,5-dioxaspiro[3.4]octan-8-one.
What is the SMILES notation for 2,5-dioxaspiro[3.4]octan-8-one?
The canonical SMILES for 2,5-dioxaspiro[3.4]octan-8-one is O=C1CCOC12COC2.
What is the InChIKey of 2,5-dioxaspiro[3.4]octan-8-one?
The InChIKey is UQWCYSCPRFGDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-5-1-2-9-6(5)3-8-4-6/h1-4H2.
What are the key properties of 2,5-dioxaspiro[3.4]octan-8-one?
2,5-dioxaspiro[3.4]octan-8-one has a molecular weight of 128.13 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxaspiro[3.4]octan-8-one is sourced from PubChem (CID 155894796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).