2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C14H2Br2O6 — CID 59861057

IUPAC2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESO=C1OC(=O)c2cc(Br)c3c4c(c(Br)cc1c24)C(=O)OC3=O
InChIInChI=1S/C14H2Br2O6/c15-5-1-3-7-4(12(18)21-11(3)17)2-6(16)9-10(7)8(5)13(19)22-14(9)20/h1-2H
InChIKeyDGDAPPHRXKXZMZ-UHFFFAOYSA-N
MW425.97 g/mol
LogP2.99
Rot. Bonds

About 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 59861057) has the molecular formula C14H2Br2O6 and a molecular weight of 425.97 g/mol. Its IUPAC name is 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
PubChem CID59861057
Molecular FormulaC14H2Br2O6
Molecular Weight425.97 g/mol
Exact Mass423.82
IUPAC Name2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESO=C1OC(=O)c2cc(Br)c3c4c(c(Br)cc1c24)C(=O)OC3=O
InChIInChI=1S/C14H2Br2O6/c15-5-1-3-7-4(12(18)21-11(3)17)2-6(16)9-10(7)8(5)13(19)22-14(9)20/h1-2H
InChIKeyDGDAPPHRXKXZMZ-UHFFFAOYSA-N
XLogP2.99
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.97
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-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 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The IUPAC name of 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 59861057) is 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is O=C1OC(=O)c2cc(Br)c3c4c(c(Br)cc1c24)C(=O)OC3=O.
What is the InChIKey of 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The InChIKey is DGDAPPHRXKXZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2Br2O6/c15-5-1-3-7-4(12(18)21-11(3)17)2-6(16)9-10(7)8(5)13(19)22-14(9)20/h1-2H.
What are the key properties of 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone has a molecular weight of 425.97 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 59861057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).