5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one

C7H8O3 — CID 166445396

IUPAC5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one
SMILESO=C1C=CC(O)OC12CC2
InChIInChI=1S/C7H8O3/c8-5-1-2-6(9)10-7(5)3-4-7/h1-2,6,9H,3-4H2
InChIKeyCVTZXSWYQFCGJV-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.01
Rot. Bonds

About 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one

5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one (PubChem CID 166445396) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one.

Molecular Properties

Compound Name5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one
PubChem CID166445396
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one
SMILESO=C1C=CC(O)OC12CC2
InChIInChI=1S/C7H8O3/c8-5-1-2-6(9)10-7(5)3-4-7/h1-2,6,9H,3-4H2
InChIKeyCVTZXSWYQFCGJV-UHFFFAOYSA-N
XLogP-0.01
TPSA46.53 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

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Related Compounds

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CID 337011
6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
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6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
L-aculose
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Ctk0I7202
CID 11029859
(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
CID 13011778
(6S)-2-hydroxy-6-methyl-2H-pyran-5-one
CID 13011788
(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041218
2-tert-Butyl-6-hydroxy-2H-pyran-3(6H)-one
CID 14041220
(6R)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 45083084
2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 71439059

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one?
The IUPAC name of 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one (CID 166445396) is 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one.
What is the SMILES notation for 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one?
The canonical SMILES for 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one is O=C1C=CC(O)OC12CC2.
What is the InChIKey of 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one?
The InChIKey is CVTZXSWYQFCGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-5-1-2-6(9)10-7(5)3-4-7/h1-2,6,9H,3-4H2.
What are the key properties of 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one?
5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-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 5-hydroxy-4-oxaspiro[2.5]oct-6-en-8-one is sourced from PubChem (CID 166445396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).