3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone

C24H24O8 — CID 10455912

IUPAC3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone
SMILESO=C1OCCCCOC(=O)c2ccc(cc2)C(=O)OCCCCOC(=O)c2ccc1cc2
InChIInChI=1S/C24H24O8/c25-21-17-5-7-19(8-6-17)23(27)31-15-3-4-16-32-24(28)20-11-9-18(10-12-20)22(26)30-14-2-1-13-29-21/h5-12H,1-4,13-16H2
InChIKeySFNCDJVWOAZMFE-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.59
Rot. Bonds

About 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone

3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone (PubChem CID 10455912) has the molecular formula C24H24O8 and a molecular weight of 440.45 g/mol. Its IUPAC name is 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone.

Molecular Properties

Compound Name3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone
PubChem CID10455912
Molecular FormulaC24H24O8
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone
SMILESO=C1OCCCCOC(=O)c2ccc(cc2)C(=O)OCCCCOC(=O)c2ccc1cc2
InChIInChI=1S/C24H24O8/c25-21-17-5-7-19(8-6-17)23(27)31-15-3-4-16-32-24(28)20-11-9-18(10-12-20)22(26)30-14-2-1-13-29-21/h5-12H,1-4,13-16H2
InChIKeySFNCDJVWOAZMFE-UHFFFAOYSA-N
XLogP3.59
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone?
The IUPAC name of 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone (CID 10455912) is 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone.
What is the SMILES notation for 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone?
The canonical SMILES for 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone is O=C1OCCCCOC(=O)c2ccc(cc2)C(=O)OCCCCOC(=O)c2ccc1cc2.
What is the InChIKey of 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone?
The InChIKey is SFNCDJVWOAZMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O8/c25-21-17-5-7-19(8-6-17)23(27)31-15-3-4-16-32-24(28)20-11-9-18(10-12-20)22(26)30-14-2-1-13-29-21/h5-12H,1-4,13-16H2.
What are the key properties of 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone?
3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone has a molecular weight of 440.45 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,15,20-tetraoxatricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-2,9,14,21-tetrone is sourced from PubChem (CID 10455912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).