(1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one

C15H22O2 — CID 90661852

IUPAC(1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one
SMILESCC1=CC(=O)C[C@]2(C)CC[C@@H]3C[C@]12OC3(C)C
InChIInChI=1S/C15H22O2/c1-10-7-12(16)9-14(4)6-5-11-8-15(10,14)17-13(11,2)3/h7,11H,5-6,8-9H2,1-4H3/t11-,14+,15+/m1/s1
InChIKeyGOGQVLFORQZAOZ-UGFHNGPFSA-N
MW234.34 g/mol
LogP3.26
Rot. Bonds

About (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one

(1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one (PubChem CID 90661852) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one.

Molecular Properties

Compound Name(1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one
PubChem CID90661852
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one
SMILESCC1=CC(=O)C[C@]2(C)CC[C@@H]3C[C@]12OC3(C)C
InChIInChI=1S/C15H22O2/c1-10-7-12(16)9-14(4)6-5-11-8-15(10,14)17-13(11,2)3/h7,11H,5-6,8-9H2,1-4H3/t11-,14+,15+/m1/s1
InChIKeyGOGQVLFORQZAOZ-UGFHNGPFSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one?
The IUPAC name of (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one (CID 90661852) is (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one.
What is the SMILES notation for (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one?
The canonical SMILES for (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one is CC1=CC(=O)C[C@]2(C)CC[C@@H]3C[C@]12OC3(C)C.
What is the InChIKey of (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one?
The InChIKey is GOGQVLFORQZAOZ-UGFHNGPFSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-7-12(16)9-14(4)6-5-11-8-15(10,14)17-13(11,2)3/h7,11H,5-6,8-9H2,1-4H3/t11-,14+,15+/m1/s1.
What are the key properties of (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one?
(1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one has a molecular weight of 234.34 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one is sourced from PubChem (CID 90661852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).