5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione

C16H20O6 — CID 74941939

IUPAC5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione
SMILESO=C1C=CC2(O)CCOC3CC(=O)C=CC3(O)CCOC2C1
InChIInChI=1S/C16H20O6/c17-11-1-3-15(19)5-7-22-14-10-12(18)2-4-16(14,20)6-8-21-13(15)9-11/h1-4,13-14,19-20H,5-10H2
InChIKeyCLHSTVDCPKSBRC-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.07
Rot. Bonds

About 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione

5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione (PubChem CID 74941939) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione.

Molecular Properties

Compound Name5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione
PubChem CID74941939
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione
SMILESO=C1C=CC2(O)CCOC3CC(=O)C=CC3(O)CCOC2C1
InChIInChI=1S/C16H20O6/c17-11-1-3-15(19)5-7-22-14-10-12(18)2-4-16(14,20)6-8-21-13(15)9-11/h1-4,13-14,19-20H,5-10H2
InChIKeyCLHSTVDCPKSBRC-UHFFFAOYSA-N
XLogP0.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione?
The IUPAC name of 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione (CID 74941939) is 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione.
What is the SMILES notation for 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione?
The canonical SMILES for 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione is O=C1C=CC2(O)CCOC3CC(=O)C=CC3(O)CCOC2C1.
What is the InChIKey of 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione?
The InChIKey is CLHSTVDCPKSBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6/c17-11-1-3-15(19)5-7-22-14-10-12(18)2-4-16(14,20)6-8-21-13(15)9-11/h1-4,13-14,19-20H,5-10H2.
What are the key properties of 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione?
5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione has a molecular weight of 308.33 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.05,10]octadeca-6,15-diene-8,17-dione is sourced from PubChem (CID 74941939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).