6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one

C9H12O4 — CID 130152362

IUPAC6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one
SMILESO=C1C=C(OCCO)CCC12CO2
InChIInChI=1S/C9H12O4/c10-3-4-12-7-1-2-9(6-13-9)8(11)5-7/h5,10H,1-4,6H2
InChIKeyZUFNTSNCARLYPU-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.01
Rot. Bonds3

About 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one

6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one (PubChem CID 130152362) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one
PubChem CID130152362
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one
SMILESO=C1C=C(OCCO)CCC12CO2
InChIInChI=1S/C9H12O4/c10-3-4-12-7-1-2-9(6-13-9)8(11)5-7/h5,10H,1-4,6H2
InChIKeyZUFNTSNCARLYPU-UHFFFAOYSA-N
XLogP0.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 5275343
(1S,5R,6S)-5-hydroxy-1-[(1S)-1-hydroxy-3-methylbut-2-enyl]-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 166629334
5-Hydroxy-4-methoxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 12866385
(1R,5S,6R)-5-hydroxy-4-methoxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 162908706
6-Methoxy-1-oxaspiro[2.5]oct-5-en-4-one
CID 19034373
(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
CID 176105570
(3S)-6-methoxy-1-oxaspiro[2.5]oct-5-en-4-one
CID 11105571
1-(1-Hydroxyethyl)-4-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
CID 101947871
6-Hydroxy-6-(hydroxymethyl)-3-methoxycyclohex-2-en-1-one
CID 130037482
(1S,5R,6S)-5-Hydroxy-4-methoxy-1-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 168438740

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one?
The IUPAC name of 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one (CID 130152362) is 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one.
What is the SMILES notation for 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one?
The canonical SMILES for 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one is O=C1C=C(OCCO)CCC12CO2.
What is the InChIKey of 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one?
The InChIKey is ZUFNTSNCARLYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c10-3-4-12-7-1-2-9(6-13-9)8(11)5-7/h5,10H,1-4,6H2.
What are the key properties of 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one?
6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one has a molecular weight of 184.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-1-oxaspiro[2.5]oct-5-en-4-one is sourced from PubChem (CID 130152362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).