6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one

C8H10O3 — CID 19034373

IUPAC6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one
SMILESCOC1=CC(=O)C2(CC1)CO2
InChIInChI=1S/C8H10O3/c1-10-6-2-3-8(5-11-8)7(9)4-6/h4H,2-3,5H2,1H3
InChIKeyHRPZUFTZNADPPY-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds1

About 6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one

6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one (PubChem CID 19034373) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one.

Molecular Properties

Compound Name6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one
PubChem CID19034373
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one
SMILESCOC1=CC(=O)C2(CC1)CO2
InChIInChI=1S/C8H10O3/c1-10-6-2-3-8(5-11-8)7(9)4-6/h4H,2-3,5H2,1H3
InChIKeyHRPZUFTZNADPPY-UHFFFAOYSA-N
XLogP0.65
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

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]oct-5-en-4-one?
The IUPAC name of 6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one (CID 19034373) is 6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one.
What is the SMILES notation for 6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one?
The canonical SMILES for 6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one is COC1=CC(=O)C2(CC1)CO2.
What is the InChIKey of 6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one?
The InChIKey is HRPZUFTZNADPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-6-2-3-8(5-11-8)7(9)4-6/h4H,2-3,5H2,1H3.
What are the key properties of 6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one?
6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 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]oct-5-en-4-one is sourced from PubChem (CID 19034373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).