(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one

C16H24O — CID 15966563

IUPAC(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
SMILESCC1=CC(=O)[C@]23CC[C@@H](C)[C@]12CCCC3(C)C
InChIInChI=1S/C16H24O/c1-11-6-9-16-13(17)10-12(2)15(11,16)8-5-7-14(16,3)4/h10-11H,5-9H2,1-4H3/t11-,15-,16+/m1/s1
InChIKeyHBNWPKJXDGKWMU-LYRGGWFBSA-N
MW232.37 g/mol
LogP4.13
Rot. Bonds

About (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one

(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one (PubChem CID 15966563) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one.

Molecular Properties

Compound Name(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
PubChem CID15966563
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
SMILESCC1=CC(=O)[C@]23CC[C@@H](C)[C@]12CCCC3(C)C
InChIInChI=1S/C16H24O/c1-11-6-9-16-13(17)10-12(2)15(11,16)8-5-7-14(16,3)4/h10-11H,5-9H2,1-4H3/t11-,15-,16+/m1/s1
InChIKeyHBNWPKJXDGKWMU-LYRGGWFBSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one?
The IUPAC name of (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one (CID 15966563) is (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one.
What is the SMILES notation for (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one?
The canonical SMILES for (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one is CC1=CC(=O)[C@]23CC[C@@H](C)[C@]12CCCC3(C)C.
What is the InChIKey of (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one?
The InChIKey is HBNWPKJXDGKWMU-LYRGGWFBSA-N. The full InChI is InChI=1S/C16H24O/c1-11-6-9-16-13(17)10-12(2)15(11,16)8-5-7-14(16,3)4/h10-11H,5-9H2,1-4H3/t11-,15-,16+/m1/s1.
What are the key properties of (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one?
(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one has a molecular weight of 232.37 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one is sourced from PubChem (CID 15966563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).