5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione

C15H22O5 — CID 72952488

IUPAC5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
SMILESCC1CCC2(O)C13CC(=O)OCC2(C)C(C)(O)C(=O)C3
InChIInChI=1S/C15H22O5/c1-9-4-5-15(19)12(2)8-20-11(17)7-14(9,15)6-10(16)13(12,3)18/h9,18-19H,4-8H2,1-3H3
InChIKeyCZGRONHLKQQJIY-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.81
Rot. Bonds

About 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione

5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione (PubChem CID 72952488) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione.

Molecular Properties

Compound Name5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
PubChem CID72952488
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
SMILESCC1CCC2(O)C13CC(=O)OCC2(C)C(C)(O)C(=O)C3
InChIInChI=1S/C15H22O5/c1-9-4-5-15(19)12(2)8-20-11(17)7-14(9,15)6-10(16)13(12,3)18/h9,18-19H,4-8H2,1-3H3
InChIKeyCZGRONHLKQQJIY-UHFFFAOYSA-N
XLogP0.81
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione?
The IUPAC name of 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione (CID 72952488) is 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione.
What is the SMILES notation for 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione?
The canonical SMILES for 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione is CC1CCC2(O)C13CC(=O)OCC2(C)C(C)(O)C(=O)C3.
What is the InChIKey of 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione?
The InChIKey is CZGRONHLKQQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-9-4-5-15(19)12(2)8-20-11(17)7-14(9,15)6-10(16)13(12,3)18/h9,18-19H,4-8H2,1-3H3.
What are the key properties of 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione?
5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione has a molecular weight of 282.34 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione is sourced from PubChem (CID 72952488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).