2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one

C11H16O3 — CID 130130464

IUPAC2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one
SMILESO=C1C=CC(O)OC12CCCCCC2
InChIInChI=1S/C11H16O3/c12-9-5-6-10(13)14-11(9)7-3-1-2-4-8-11/h5-6,10,13H,1-4,7-8H2
InChIKeyAWCQMMBAUFBKFP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds

About 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one

2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one (PubChem CID 130130464) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one.

Molecular Properties

Compound Name2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one
PubChem CID130130464
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one
SMILESO=C1C=CC(O)OC12CCCCCC2
InChIInChI=1S/C11H16O3/c12-9-5-6-10(13)14-11(9)7-3-1-2-4-8-11/h5-6,10,13H,1-4,7-8H2
InChIKeyAWCQMMBAUFBKFP-UHFFFAOYSA-N
XLogP1.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclohexyl-2-hydroxy-2H-pyran-5-one
CID 14641213
6-hexyl-2-hydroxy-2H-pyran-5-one
CID 10798022
2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one
CID 13005830
(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one
CID 14041215
(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
CID 14641217
2-hydroxy-6-undecyl-2H-pyran-5-one
CID 14827354
7-Hydroxy-6-oxaspiro[4.5]dec-8-en-10-one
CID 53391906
6-Hydroxy-2-(4-methylpent-4-en-1-yl)-2H-pyran-3(6H)-one
CID 71410670
(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 129364170
(5-Oxo-1-oxaspiro[5.6]dodec-3-en-2-yl) acetate
CID 132579907
2-Hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one
CID 135075806

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one?
The IUPAC name of 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one (CID 130130464) is 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one.
What is the SMILES notation for 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one?
The canonical SMILES for 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one is O=C1C=CC(O)OC12CCCCCC2.
What is the InChIKey of 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one?
The InChIKey is AWCQMMBAUFBKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-5-6-10(13)14-11(9)7-3-1-2-4-8-11/h5-6,10,13H,1-4,7-8H2.
What are the key properties of 2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one?
2-hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one has a molecular weight of 196.25 g/mol, XLogP of 1.55, 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[5.6]dodec-3-en-5-one is sourced from PubChem (CID 130130464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).