1,4-dioxaspiro[4.4]non-8-en-7-one

C7H8O3 — CID 11480486

IUPAC1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESO=C1C=CC2(C1)OCCO2
InChIInChI=1S/C7H8O3/c8-6-1-2-7(5-6)9-3-4-10-7/h1-2H,3-5H2
InChIKeyIXQMLUNGRAKREB-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.26
Rot. Bonds

About 1,4-dioxaspiro[4.4]non-8-en-7-one

1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 11480486) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID11480486
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESO=C1C=CC2(C1)OCCO2
InChIInChI=1S/C7H8O3/c8-6-1-2-7(5-6)9-3-4-10-7/h1-2H,3-5H2
InChIKeyIXQMLUNGRAKREB-UHFFFAOYSA-N
XLogP0.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 1,4-dioxaspiro[4.4]non-8-en-7-one (CID 11480486) is 1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 1,4-dioxaspiro[4.4]non-8-en-7-one is O=C1C=CC2(C1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is IXQMLUNGRAKREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-6-1-2-7(5-6)9-3-4-10-7/h1-2H,3-5H2.
What are the key properties of 1,4-dioxaspiro[4.4]non-8-en-7-one?
1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 140.14 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 1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 11480486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).