11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione

C12H12O6 — CID 67019281

IUPAC11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione
SMILESO=C1OCCCCOC(=O)c2c(O)ccc1c2O
InChIInChI=1S/C12H12O6/c13-8-4-3-7-10(14)9(8)12(16)18-6-2-1-5-17-11(7)15/h3-4,13-14H,1-2,5-6H2
InChIKeyKRRDTKLGBOZYOB-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.21
Rot. Bonds

About 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione

11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione (PubChem CID 67019281) has the molecular formula C12H12O6 and a molecular weight of 252.22 g/mol. Its IUPAC name is 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione.

Molecular Properties

Compound Name11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione
PubChem CID67019281
Molecular FormulaC12H12O6
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione
SMILESO=C1OCCCCOC(=O)c2c(O)ccc1c2O
InChIInChI=1S/C12H12O6/c13-8-4-3-7-10(14)9(8)12(16)18-6-2-1-5-17-11(7)15/h3-4,13-14H,1-2,5-6H2
InChIKeyKRRDTKLGBOZYOB-UHFFFAOYSA-N
XLogP1.21
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione?
The IUPAC name of 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione (CID 67019281) is 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione.
What is the SMILES notation for 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione?
The canonical SMILES for 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione is O=C1OCCCCOC(=O)c2c(O)ccc1c2O.
What is the InChIKey of 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione?
The InChIKey is KRRDTKLGBOZYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O6/c13-8-4-3-7-10(14)9(8)12(16)18-6-2-1-5-17-11(7)15/h3-4,13-14H,1-2,5-6H2.
What are the key properties of 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione?
11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione has a molecular weight of 252.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-dihydroxy-3,8-dioxabicyclo[8.3.1]tetradeca-1(14),10,12-triene-2,9-dione is sourced from PubChem (CID 67019281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).