10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione

C15H18O4 — CID 102245858

IUPAC10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione
SMILESCC1=C(O)C(=O)C23C(=O)C1CC2(C)C(=O)CCC3C
InChIInChI=1S/C15H18O4/c1-7-4-5-10(16)14(3)6-9-8(2)11(17)13(19)15(7,14)12(9)18/h7,9,17H,4-6H2,1-3H3
InChIKeyNCCGDCVQEBLKNP-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.98
Rot. Bonds

About 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione

10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione (PubChem CID 102245858) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione.

Molecular Properties

Compound Name10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione
PubChem CID102245858
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione
SMILESCC1=C(O)C(=O)C23C(=O)C1CC2(C)C(=O)CCC3C
InChIInChI=1S/C15H18O4/c1-7-4-5-10(16)14(3)6-9-8(2)11(17)13(19)15(7,14)12(9)18/h7,9,17H,4-6H2,1-3H3
InChIKeyNCCGDCVQEBLKNP-UHFFFAOYSA-N
XLogP1.98
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione?
The IUPAC name of 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione (CID 102245858) is 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione.
What is the SMILES notation for 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione?
The canonical SMILES for 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione is CC1=C(O)C(=O)C23C(=O)C1CC2(C)C(=O)CCC3C.
What is the InChIKey of 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione?
The InChIKey is NCCGDCVQEBLKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-7-4-5-10(16)14(3)6-9-8(2)11(17)13(19)15(7,14)12(9)18/h7,9,17H,4-6H2,1-3H3.
What are the key properties of 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione?
10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione has a molecular weight of 262.30 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-2,6,9-trimethyltricyclo[6.3.1.01,6]dodec-9-ene-5,11,12-trione is sourced from PubChem (CID 102245858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).