2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol

C20H24O8 — CID 13273773

IUPAC2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
SMILESOc1ccc2c(c1)OCCOCCOc1ccc(O)cc1OCCOCCO2
InChIInChI=1S/C20H24O8/c21-15-1-3-17-19(13-15)27-11-7-24-6-10-26-18-4-2-16(22)14-20(18)28-12-8-23-5-9-25-17/h1-4,13-14,21-22H,5-12H2
InChIKeyYJJKTGHEPKMODN-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.36
Rot. Bonds

About 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol

2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol (PubChem CID 13273773) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol.

Molecular Properties

Compound Name2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
PubChem CID13273773
Molecular FormulaC20H24O8
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
SMILESOc1ccc2c(c1)OCCOCCOc1ccc(O)cc1OCCOCCO2
InChIInChI=1S/C20H24O8/c21-15-1-3-17-19(13-15)27-11-7-24-6-10-26-18-4-2-16(22)14-20(18)28-12-8-23-5-9-25-17/h1-4,13-14,21-22H,5-12H2
InChIKeyYJJKTGHEPKMODN-UHFFFAOYSA-N
XLogP2.36
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol?
The IUPAC name of 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol (CID 13273773) is 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol.
What is the SMILES notation for 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol?
The canonical SMILES for 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol is Oc1ccc2c(c1)OCCOCCOc1ccc(O)cc1OCCOCCO2.
What is the InChIKey of 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol?
The InChIKey is YJJKTGHEPKMODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O8/c21-15-1-3-17-19(13-15)27-11-7-24-6-10-26-18-4-2-16(22)14-20(18)28-12-8-23-5-9-25-17/h1-4,13-14,21-22H,5-12H2.
What are the key properties of 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol?
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol has a molecular weight of 392.40 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol is sourced from PubChem (CID 13273773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).