15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone

C24H20O6 — CID 3850298

IUPAC15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone
SMILESO=C1OC(=O)C2C3CCC(C4=C5c6ccccc6CCC5C5C(=O)OC(=O)C5C43)C12
InChIInChI=1S/C24H20O6/c25-21-17-12-7-8-13(18(17)22(26)29-21)16-15(12)14-10-4-2-1-3-9(10)5-6-11(14)19-20(16)24(28)30-23(19)27/h1-4,11-13,16-20H,5-8H2
InChIKeyPHGJFBNSHDLHPS-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.30
Rot. Bonds

About 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone

15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone (PubChem CID 3850298) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone.

Molecular Properties

Compound Name15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone
PubChem CID3850298
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone
SMILESO=C1OC(=O)C2C3CCC(C4=C5c6ccccc6CCC5C5C(=O)OC(=O)C5C43)C12
InChIInChI=1S/C24H20O6/c25-21-17-12-7-8-13(18(17)22(26)29-21)16-15(12)14-10-4-2-1-3-9(10)5-6-11(14)19-20(16)24(28)30-23(19)27/h1-4,11-13,16-20H,5-8H2
InChIKeyPHGJFBNSHDLHPS-UHFFFAOYSA-N
XLogP2.30
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone?
The IUPAC name of 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone (CID 3850298) is 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone.
What is the SMILES notation for 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone?
The canonical SMILES for 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone is O=C1OC(=O)C2C3CCC(C4=C5c6ccccc6CCC5C5C(=O)OC(=O)C5C43)C12.
What is the InChIKey of 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone?
The InChIKey is PHGJFBNSHDLHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c25-21-17-12-7-8-13(18(17)22(26)29-21)16-15(12)14-10-4-2-1-3-9(10)5-6-11(14)19-20(16)24(28)30-23(19)27/h1-4,11-13,16-20H,5-8H2.
What are the key properties of 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone?
15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone has a molecular weight of 404.42 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15,22-dioxaheptacyclo[17.5.2.02,18.03,12.04,9.013,17.020,24]hexacosa-2,4,6,8-tetraene-14,16,21,23-tetrone is sourced from PubChem (CID 3850298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).