methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate

C11H12O6 — CID 163011309

IUPACmethyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate
SMILESCOC(=O)C1=COC2OCC3OC(=O)CC1C32
InChIInChI=1S/C11H12O6/c1-14-10(13)6-3-15-11-9-5(6)2-8(12)17-7(9)4-16-11/h3,5,7,9,11H,2,4H2,1H3
InChIKeyYUPVNRBAQHISRY-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.02
Rot. Bonds1

About methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate

methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate (PubChem CID 163011309) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate
PubChem CID163011309
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namemethyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate
SMILESCOC(=O)C1=COC2OCC3OC(=O)CC1C32
InChIInChI=1S/C11H12O6/c1-14-10(13)6-3-15-11-9-5(6)2-8(12)17-7(9)4-16-11/h3,5,7,9,11H,2,4H2,1H3
InChIKeyYUPVNRBAQHISRY-UHFFFAOYSA-N
XLogP-0.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate?
The IUPAC name of methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate (CID 163011309) is methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate.
What is the SMILES notation for methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate?
The canonical SMILES for methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate is COC(=O)C1=COC2OCC3OC(=O)CC1C32.
What is the InChIKey of methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate?
The InChIKey is YUPVNRBAQHISRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-14-10(13)6-3-15-11-9-5(6)2-8(12)17-7(9)4-16-11/h3,5,7,9,11H,2,4H2,1H3.
What are the key properties of methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate?
methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate has a molecular weight of 240.21 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-2,5,11-trioxatricyclo[6.3.1.04,12]dodec-9-ene-9-carboxylate is sourced from PubChem (CID 163011309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).