2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one

C11H16O3 — CID 15190721

IUPAC2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one
SMILESCC1(O)C=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C11H16O3/c1-10(13)8-5-9(12)11(14-10)6-3-2-4-7-11/h5,8,13H,2-4,6-7H2,1H3
InChIKeyPLDIDYKXNNLRDR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds

About 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one

2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one (PubChem CID 15190721) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one
PubChem CID15190721
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one
SMILESCC1(O)C=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C11H16O3/c1-10(13)8-5-9(12)11(14-10)6-3-2-4-7-11/h5,8,13H,2-4,6-7H2,1H3
InChIKeyPLDIDYKXNNLRDR-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
2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
2-Cyclohexyl-6-hydroperoxy-6-methylpyran-3-one
CID 11310684
(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 129364170
7-Hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
CID 135075468
2-Hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one
CID 135075806
(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
CID 162412613
2-[(2-Methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one
CID 162412813
6-cyclohexyl-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 176429017
1-Oxaspiro[5.5]undec-3-ene-2,5-dione
CID 10888516
2-Cyclohexyl-6-hydroxy-6-methylpyran-3-one
CID 11160130
6-Hydroxy-6-methyl-2-pentylpyran-3-one
CID 14041227

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one?
The IUPAC name of 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one (CID 15190721) is 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one is CC1(O)C=CC(=O)C2(CCCCC2)O1.
What is the InChIKey of 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one?
The InChIKey is PLDIDYKXNNLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-10(13)8-5-9(12)11(14-10)6-3-2-4-7-11/h5,8,13H,2-4,6-7H2,1H3.
What are the key properties of 2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one?
2-hydroxy-2-methyl-1-oxaspiro[5.5]undec-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-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one is sourced from PubChem (CID 15190721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).