(1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one

C12H16O3 — CID 139249540

IUPAC(1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one
SMILESC[C@@H]1C(=O)C=C[C@]23CO[C@](C)(C2)OC[C@@H]13
InChIInChI=1S/C12H16O3/c1-8-9-5-14-11(2)6-12(9,7-15-11)4-3-10(8)13/h3-4,8-9H,5-7H2,1-2H3/t8-,9-,11+,12+/m0/s1
InChIKeyGKRXASVKPCJXIH-GAIPPQHRSA-N
MW208.26 g/mol
LogP1.53
Rot. Bonds

About (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one

(1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one (PubChem CID 139249540) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one.

Molecular Properties

Compound Name(1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one
PubChem CID139249540
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one
SMILESC[C@@H]1C(=O)C=C[C@]23CO[C@](C)(C2)OC[C@@H]13
InChIInChI=1S/C12H16O3/c1-8-9-5-14-11(2)6-12(9,7-15-11)4-3-10(8)13/h3-4,8-9H,5-7H2,1-2H3/t8-,9-,11+,12+/m0/s1
InChIKeyGKRXASVKPCJXIH-GAIPPQHRSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one?
The IUPAC name of (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one (CID 139249540) is (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one.
What is the SMILES notation for (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one?
The canonical SMILES for (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one is C[C@@H]1C(=O)C=C[C@]23CO[C@](C)(C2)OC[C@@H]13.
What is the InChIKey of (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one?
The InChIKey is GKRXASVKPCJXIH-GAIPPQHRSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-9-5-14-11(2)6-12(9,7-15-11)4-3-10(8)13/h3-4,8-9H,5-7H2,1-2H3/t8-,9-,11+,12+/m0/s1.
What are the key properties of (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one?
(1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one has a molecular weight of 208.26 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,9R)-5,9-dimethyl-8,10-dioxatricyclo[7.2.1.01,6]dodec-2-en-4-one is sourced from PubChem (CID 139249540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).