9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one

C13H20O2 — CID 65087699

IUPAC9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one
SMILESCC1(C)CCCC2(CC1)CC(=O)C=CO2
InChIInChI=1S/C13H20O2/c1-12(2)5-3-6-13(8-7-12)10-11(14)4-9-15-13/h4,9H,3,5-8,10H2,1-2H3
InChIKeyBUYQZZUOELWYLM-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds

About 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one

9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one (PubChem CID 65087699) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one.

Molecular Properties

Compound Name9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one
PubChem CID65087699
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one
SMILESCC1(C)CCCC2(CC1)CC(=O)C=CO2
InChIInChI=1S/C13H20O2/c1-12(2)5-3-6-13(8-7-12)10-11(14)4-9-15-13/h4,9H,3,5-8,10H2,1-2H3
InChIKeyBUYQZZUOELWYLM-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one?
The IUPAC name of 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one (CID 65087699) is 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one.
What is the SMILES notation for 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one?
The canonical SMILES for 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one is CC1(C)CCCC2(CC1)CC(=O)C=CO2.
What is the InChIKey of 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one?
The InChIKey is BUYQZZUOELWYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2)5-3-6-13(8-7-12)10-11(14)4-9-15-13/h4,9H,3,5-8,10H2,1-2H3.
What are the key properties of 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one?
9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one has a molecular weight of 208.30 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one is sourced from PubChem (CID 65087699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).