10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene

C14H16Br2O2 — CID 55223662

IUPAC10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
SMILESBrc1cc2c(c3c1CCCCC3Br)OCCCO2
InChIInChI=1S/C14H16Br2O2/c15-10-5-2-1-4-9-11(16)8-12-14(13(9)10)18-7-3-6-17-12/h8,10H,1-7H2
InChIKeyXGEJTZBOTOTRQZ-UHFFFAOYSA-N
MW376.09 g/mol
LogP4.77
Rot. Bonds

About 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene

10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene (PubChem CID 55223662) has the molecular formula C14H16Br2O2 and a molecular weight of 376.09 g/mol. Its IUPAC name is 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene.

Molecular Properties

Compound Name10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
PubChem CID55223662
Molecular FormulaC14H16Br2O2
Molecular Weight376.09 g/mol
Exact Mass373.95
IUPAC Name10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
SMILESBrc1cc2c(c3c1CCCCC3Br)OCCCO2
InChIInChI=1S/C14H16Br2O2/c15-10-5-2-1-4-9-11(16)8-12-14(13(9)10)18-7-3-6-17-12/h8,10H,1-7H2
InChIKeyXGEJTZBOTOTRQZ-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene?
The IUPAC name of 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene (CID 55223662) is 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene.
What is the SMILES notation for 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene?
The canonical SMILES for 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene is Brc1cc2c(c3c1CCCCC3Br)OCCCO2.
What is the InChIKey of 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene?
The InChIKey is XGEJTZBOTOTRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2O2/c15-10-5-2-1-4-9-11(16)8-12-14(13(9)10)18-7-3-6-17-12/h8,10H,1-7H2.
What are the key properties of 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene?
10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene has a molecular weight of 376.09 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene is sourced from PubChem (CID 55223662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).