2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one

C7H8O3 — CID 140972985

IUPAC2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one
SMILESO=C1C=CCCC12OC2O
InChIInChI=1S/C7H8O3/c8-5-3-1-2-4-7(5)6(9)10-7/h1,3,6,9H,2,4H2
InChIKeyRZCOWIUGHVLFDP-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.01
Rot. Bonds

About 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one

2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one (PubChem CID 140972985) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one.

Molecular Properties

Compound Name2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one
PubChem CID140972985
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one
SMILESO=C1C=CCCC12OC2O
InChIInChI=1S/C7H8O3/c8-5-3-1-2-4-7(5)6(9)10-7/h1,3,6,9H,2,4H2
InChIKeyRZCOWIUGHVLFDP-UHFFFAOYSA-N
XLogP-0.01
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
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 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one?
The IUPAC name of 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one (CID 140972985) is 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one.
What is the SMILES notation for 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one?
The canonical SMILES for 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one is O=C1C=CCCC12OC2O.
What is the InChIKey of 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one?
The InChIKey is RZCOWIUGHVLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-5-3-1-2-4-7(5)6(9)10-7/h1,3,6,9H,2,4H2.
What are the key properties of 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one?
2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one has a molecular weight of 140.14 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-oxaspiro[2.5]oct-5-en-4-one is sourced from PubChem (CID 140972985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).