tris(1-methoxyethoxy) borate

C9H21BO9 — CID 89306377

IUPACtris(1-methoxyethoxy) borate
SMILESCOC(C)OOB(OOC(C)OC)OOC(C)OC
InChIInChI=1S/C9H21BO9/c1-7(11-4)14-17-10(18-15-8(2)12-5)19-16-9(3)13-6/h7-9H,1-6H3
InChIKeyYBNODCUQFUDWJK-UHFFFAOYSA-N
MW284.07 g/mol
LogP0.79
Rot. Bonds12

About tris(1-methoxyethoxy) borate

tris(1-methoxyethoxy) borate (PubChem CID 89306377) has the molecular formula C9H21BO9 and a molecular weight of 284.07 g/mol. Its IUPAC name is tris(1-methoxyethoxy) borate.

Molecular Properties

Compound Nametris(1-methoxyethoxy) borate
PubChem CID89306377
Molecular FormulaC9H21BO9
Molecular Weight284.07 g/mol
Exact Mass284.13
IUPAC Nametris(1-methoxyethoxy) borate
SMILESCOC(C)OOB(OOC(C)OC)OOC(C)OC
InChIInChI=1S/C9H21BO9/c1-7(11-4)14-17-10(18-15-8(2)12-5)19-16-9(3)13-6/h7-9H,1-6H3
InChIKeyYBNODCUQFUDWJK-UHFFFAOYSA-N
XLogP0.79
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(1-methoxyethoxy) borate?
The IUPAC name of tris(1-methoxyethoxy) borate (CID 89306377) is tris(1-methoxyethoxy) borate.
What is the SMILES notation for tris(1-methoxyethoxy) borate?
The canonical SMILES for tris(1-methoxyethoxy) borate is COC(C)OOB(OOC(C)OC)OOC(C)OC.
What is the InChIKey of tris(1-methoxyethoxy) borate?
The InChIKey is YBNODCUQFUDWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO9/c1-7(11-4)14-17-10(18-15-8(2)12-5)19-16-9(3)13-6/h7-9H,1-6H3.
What are the key properties of tris(1-methoxyethoxy) borate?
tris(1-methoxyethoxy) borate has a molecular weight of 284.07 g/mol, XLogP of 0.79, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methoxyethoxy) borate is sourced from PubChem (CID 89306377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).