6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one

C8H8O3 — CID 24973601

IUPAC6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCOC1=CC(=O)C2(C=C1)CO2
InChIInChI=1S/C8H8O3/c1-10-6-2-3-8(5-11-8)7(9)4-6/h2-4H,5H2,1H3
InChIKeyWCCBEORWOHGANP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.42
Rot. Bonds1

About 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one

6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one (PubChem CID 24973601) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one.

Molecular Properties

Compound Name6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
PubChem CID24973601
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCOC1=CC(=O)C2(C=C1)CO2
InChIInChI=1S/C8H8O3/c1-10-6-2-3-8(5-11-8)7(9)4-6/h2-4H,5H2,1H3
InChIKeyWCCBEORWOHGANP-UHFFFAOYSA-N
XLogP0.42
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The IUPAC name of 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one (CID 24973601) is 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one.
What is the SMILES notation for 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The canonical SMILES for 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one is COC1=CC(=O)C2(C=C1)CO2.
What is the InChIKey of 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The InChIKey is WCCBEORWOHGANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-10-6-2-3-8(5-11-8)7(9)4-6/h2-4H,5H2,1H3.
What are the key properties of 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one?
6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one has a molecular weight of 152.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one is sourced from PubChem (CID 24973601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).