(1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one

C16H24O — CID 139086399

IUPAC(1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one
SMILESCC1=C[C@@H]2C(C)(C)CCC[C@@]3(C)C[C@@]23CC1=O
InChIInChI=1S/C16H24O/c1-11-8-13-14(2,3)6-5-7-15(4)10-16(13,15)9-12(11)17/h8,13H,5-7,9-10H2,1-4H3/t13-,15+,16+/m1/s1
InChIKeyJEUIDCRGLYEWGK-KBMXLJTQSA-N
MW232.37 g/mol
LogP4.13
Rot. Bonds

About (1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one

(1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one (PubChem CID 139086399) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one.

Molecular Properties

Compound Name(1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one
PubChem CID139086399
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one
SMILESCC1=C[C@@H]2C(C)(C)CCC[C@@]3(C)C[C@@]23CC1=O
InChIInChI=1S/C16H24O/c1-11-8-13-14(2,3)6-5-7-15(4)10-16(13,15)9-12(11)17/h8,13H,5-7,9-10H2,1-4H3/t13-,15+,16+/m1/s1
InChIKeyJEUIDCRGLYEWGK-KBMXLJTQSA-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,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one?
The IUPAC name of (1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one (CID 139086399) is (1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one.
What is the SMILES notation for (1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one?
The canonical SMILES for (1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one is CC1=C[C@@H]2C(C)(C)CCC[C@@]3(C)C[C@@]23CC1=O.
What is the InChIKey of (1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one?
The InChIKey is JEUIDCRGLYEWGK-KBMXLJTQSA-N. The full InChI is InChI=1S/C16H24O/c1-11-8-13-14(2,3)6-5-7-15(4)10-16(13,15)9-12(11)17/h8,13H,5-7,9-10H2,1-4H3/t13-,15+,16+/m1/s1.
What are the key properties of (1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one?
(1R,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-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,3S,8R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-9-en-11-one is sourced from PubChem (CID 139086399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).