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

C12H18O3 — CID 135075806

IUPAC2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one
SMILESCC1(O)C=CC(=O)C2(CCCCCC2)O1
InChIInChI=1S/C12H18O3/c1-11(14)9-6-10(13)12(15-11)7-4-2-3-5-8-12/h6,9,14H,2-5,7-8H2,1H3
InChIKeyLSBZDMQAUIBHQK-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.94
Rot. Bonds

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

2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one (PubChem CID 135075806) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one
PubChem CID135075806
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one
SMILESCC1(O)C=CC(=O)C2(CCCCCC2)O1
InChIInChI=1S/C12H18O3/c1-11(14)9-6-10(13)12(15-11)7-4-2-3-5-8-12/h6,9,14H,2-5,7-8H2,1H3
InChIKeyLSBZDMQAUIBHQK-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hexyl-6-hydroxy-6-methylpyran-3-one
CID 12360610
2-Hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one
CID 15190721
(5-Oxo-1-oxaspiro[5.6]dodec-3-en-2-yl) acetate
CID 132579907
7-Hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
CID 135075468
(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
CID 162412613
3-Heptyl-3-hydroxy-7-oxabicyclo[4.1.0]hepta-1(6),4-dien-2-one
CID 141328854
2-Cyclohexyl-6-hydroxy-6-methylpyran-3-one
CID 11160130
2-Ethyl-2-hexyl-6-hydroperoxy-6-methylpyran-3-one
CID 15526398
(2S,6R)-6-heptyl-2-hydroxy-6-methyl-2H-pyran-5-one
CID 101176221
2-Prop-2-enyl-1-oxaspiro[5.6]dodec-3-en-5-one
CID 101952904
2-Hydroxy-1-oxaspiro[5.6]dodec-3-en-5-one
CID 130130464

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one?
The IUPAC name of 2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one (CID 135075806) is 2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one is CC1(O)C=CC(=O)C2(CCCCCC2)O1.
What is the InChIKey of 2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one?
The InChIKey is LSBZDMQAUIBHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-11(14)9-6-10(13)12(15-11)7-4-2-3-5-8-12/h6,9,14H,2-5,7-8H2,1H3.
What are the key properties of 2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one?
2-hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one has a molecular weight of 210.27 g/mol, XLogP of 1.94, 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[5.6]dodec-3-en-5-one is sourced from PubChem (CID 135075806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).