2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol

C18H20O6 — CID 23992581

IUPAC2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol
SMILESOC1COc2ccc(cc2)OCC(O)COc2ccc(cc2)OC1
InChIInChI=1S/C18H20O6/c19-13-9-21-15-1-2-16(4-3-15)22-10-14(20)12-24-18-7-5-17(6-8-18)23-11-13/h1-8,13-14,19-20H,9-12H2
InChIKeyRAZQALDNXTXZOL-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.64
Rot. Bonds

About 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol

2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol (PubChem CID 23992581) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol.

Molecular Properties

Compound Name2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol
PubChem CID23992581
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol
SMILESOC1COc2ccc(cc2)OCC(O)COc2ccc(cc2)OC1
InChIInChI=1S/C18H20O6/c19-13-9-21-15-1-2-16(4-3-15)22-10-14(20)12-24-18-7-5-17(6-8-18)23-11-13/h1-8,13-14,19-20H,9-12H2
InChIKeyRAZQALDNXTXZOL-UHFFFAOYSA-N
XLogP1.64
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol?
The IUPAC name of 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol (CID 23992581) is 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol.
What is the SMILES notation for 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol?
The canonical SMILES for 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol is OC1COc2ccc(cc2)OCC(O)COc2ccc(cc2)OC1.
What is the InChIKey of 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol?
The InChIKey is RAZQALDNXTXZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c19-13-9-21-15-1-2-16(4-3-15)22-10-14(20)12-24-18-7-5-17(6-8-18)23-11-13/h1-8,13-14,19-20H,9-12H2.
What are the key properties of 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol?
2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol has a molecular weight of 332.35 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,11,15-tetraoxatricyclo[14.2.2.27,10]docosa-1(19),7,9,16(20),17,21-hexaene-4,13-diol is sourced from PubChem (CID 23992581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).