tris(1,2-dimethoxyethyl) borate

C12H27BO9 — CID 175400183

IUPACtris(1,2-dimethoxyethyl) borate
SMILESCOCC(OC)OB(OC(COC)OC)OC(COC)OC
InChIInChI=1S/C12H27BO9/c1-14-7-10(17-4)20-13(21-11(18-5)8-15-2)22-12(19-6)9-16-3/h10-12H,7-9H2,1-6H3
InChIKeyXSAUIXLMTPBONO-UHFFFAOYSA-N
MW326.15 g/mol
LogP-0.12
Rot. Bonds15

About tris(1,2-dimethoxyethyl) borate

tris(1,2-dimethoxyethyl) borate (PubChem CID 175400183) has the molecular formula C12H27BO9 and a molecular weight of 326.15 g/mol. Its IUPAC name is tris(1,2-dimethoxyethyl) borate.

Molecular Properties

Compound Nametris(1,2-dimethoxyethyl) borate
PubChem CID175400183
Molecular FormulaC12H27BO9
Molecular Weight326.15 g/mol
Exact Mass326.17
IUPAC Nametris(1,2-dimethoxyethyl) borate
SMILESCOCC(OC)OB(OC(COC)OC)OC(COC)OC
InChIInChI=1S/C12H27BO9/c1-14-7-10(17-4)20-13(21-11(18-5)8-15-2)22-12(19-6)9-16-3/h10-12H,7-9H2,1-6H3
InChIKeyXSAUIXLMTPBONO-UHFFFAOYSA-N
XLogP-0.12
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 5-0.12
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'}

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Frequently Asked Questions

What is the IUPAC name of tris(1,2-dimethoxyethyl) borate?
The IUPAC name of tris(1,2-dimethoxyethyl) borate (CID 175400183) is tris(1,2-dimethoxyethyl) borate.
What is the SMILES notation for tris(1,2-dimethoxyethyl) borate?
The canonical SMILES for tris(1,2-dimethoxyethyl) borate is COCC(OC)OB(OC(COC)OC)OC(COC)OC.
What is the InChIKey of tris(1,2-dimethoxyethyl) borate?
The InChIKey is XSAUIXLMTPBONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO9/c1-14-7-10(17-4)20-13(21-11(18-5)8-15-2)22-12(19-6)9-16-3/h10-12H,7-9H2,1-6H3.
What are the key properties of tris(1,2-dimethoxyethyl) borate?
tris(1,2-dimethoxyethyl) borate has a molecular weight of 326.15 g/mol, XLogP of -0.12, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2-dimethoxyethyl) borate is sourced from PubChem (CID 175400183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).