1,4-dioxaspiro[4.5]dec-6-en-8-one

C8H10O3 — CID 11008131

IUPAC1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESO=C1C=CC2(CC1)OCCO2
InChIInChI=1S/C8H10O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1,3H,2,4-6H2
InChIKeyWEXSICJLVQFQNG-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds

About 1,4-dioxaspiro[4.5]dec-6-en-8-one

1,4-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 11008131) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID11008131
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESO=C1C=CC2(CC1)OCCO2
InChIInChI=1S/C8H10O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1,3H,2,4-6H2
InChIKeyWEXSICJLVQFQNG-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 1,4-dioxaspiro[4.5]dec-6-en-8-one (CID 11008131) is 1,4-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 1,4-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 1,4-dioxaspiro[4.5]dec-6-en-8-one is O=C1C=CC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is WEXSICJLVQFQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1,3H,2,4-6H2.
What are the key properties of 1,4-dioxaspiro[4.5]dec-6-en-8-one?
1,4-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 11008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).