tribromoborane;triethyl phosphite

C6H15BBr3O3P — CID 11154276

IUPACtribromoborane;triethyl phosphite
SMILESBrB(Br)Br.CCOP(OCC)OCC
InChIInChI=1S/C6H15O3P.BBr3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-6H2,1-3H3;
InChIKeyWOUWADQSCKCBBZ-UHFFFAOYSA-N
MW416.68 g/mol
LogP4.48
Rot. Bonds6

About tribromoborane;triethyl phosphite

tribromoborane;triethyl phosphite (PubChem CID 11154276) has the molecular formula C6H15BBr3O3P and a molecular weight of 416.68 g/mol. Its IUPAC name is tribromoborane;triethyl phosphite.

Molecular Properties

Compound Nametribromoborane;triethyl phosphite
PubChem CID11154276
Molecular FormulaC6H15BBr3O3P
Molecular Weight416.68 g/mol
Exact Mass413.84
IUPAC Nametribromoborane;triethyl phosphite
SMILESBrB(Br)Br.CCOP(OCC)OCC
InChIInChI=1S/C6H15O3P.BBr3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-6H2,1-3H3;
InChIKeyWOUWADQSCKCBBZ-UHFFFAOYSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.68
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tribromoborane;triethyl phosphite?
The IUPAC name of tribromoborane;triethyl phosphite (CID 11154276) is tribromoborane;triethyl phosphite.
What is the SMILES notation for tribromoborane;triethyl phosphite?
The canonical SMILES for tribromoborane;triethyl phosphite is BrB(Br)Br.CCOP(OCC)OCC.
What is the InChIKey of tribromoborane;triethyl phosphite?
The InChIKey is WOUWADQSCKCBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P.BBr3/c1-4-7-10(8-5-2)9-6-3;2-1(3)4/h4-6H2,1-3H3;.
What are the key properties of tribromoborane;triethyl phosphite?
tribromoborane;triethyl phosphite has a molecular weight of 416.68 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tribromoborane;triethyl phosphite is sourced from PubChem (CID 11154276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).