1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C8H8O3 — CID 592339

IUPAC1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=CC2(C=C1)OCCO2
InChIInChI=1S/C8H8O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-4H,5-6H2
InChIKeyMOSCBNMEESTOIU-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.42
Rot. Bonds

About 1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 592339) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID592339
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=CC2(C=C1)OCCO2
InChIInChI=1S/C8H8O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-4H,5-6H2
InChIKeyMOSCBNMEESTOIU-UHFFFAOYSA-N
XLogP0.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.42
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]deca-6,9-dien-8-one?
The IUPAC name of 1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 592339) is 1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is O=C1C=CC2(C=C1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is MOSCBNMEESTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-4H,5-6H2.
What are the key properties of 1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 152.15 g/mol, XLogP of 0.42, 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]deca-6,9-dien-8-one is sourced from PubChem (CID 592339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).