(1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one

C10H12O3 — CID 46211127

IUPAC(1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one
SMILESO=C1C=C[C@H]2C[C@H]3OCCC[C@@]13O2
InChIInChI=1S/C10H12O3/c11-8-3-2-7-6-9-10(8,13-7)4-1-5-12-9/h2-3,7,9H,1,4-6H2/t7-,9+,10+/m0/s1
InChIKeyFZIOBUZIZWVPLM-FXBDTBDDSA-N
MW180.20 g/mol
LogP0.83
Rot. Bonds

About (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one

(1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one (PubChem CID 46211127) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one.

Molecular Properties

Compound Name(1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one
PubChem CID46211127
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one
SMILESO=C1C=C[C@H]2C[C@H]3OCCC[C@@]13O2
InChIInChI=1S/C10H12O3/c11-8-3-2-7-6-9-10(8,13-7)4-1-5-12-9/h2-3,7,9H,1,4-6H2/t7-,9+,10+/m0/s1
InChIKeyFZIOBUZIZWVPLM-FXBDTBDDSA-N
XLogP0.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one?
The IUPAC name of (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one (CID 46211127) is (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one.
What is the SMILES notation for (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one?
The canonical SMILES for (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one is O=C1C=C[C@H]2C[C@H]3OCCC[C@@]13O2.
What is the InChIKey of (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one?
The InChIKey is FZIOBUZIZWVPLM-FXBDTBDDSA-N. The full InChI is InChI=1S/C10H12O3/c11-8-3-2-7-6-9-10(8,13-7)4-1-5-12-9/h2-3,7,9H,1,4-6H2/t7-,9+,10+/m0/s1.
What are the key properties of (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one?
(1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one has a molecular weight of 180.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8R)-5,12-dioxatricyclo[6.3.1.01,6]dodec-9-en-11-one is sourced from PubChem (CID 46211127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).