trimethoxyalumane;trimethyl borate

C6H18AlBO6 — CID 158021498

IUPACtrimethoxyalumane;trimethyl borate
SMILESCOB(OC)OC.CO[Al](OC)OC
InChIInChI=1S/C3H9BO3.3CH3O.Al/c1-5-4(6-2)7-3;3*1-2;/h1-3H3;3*1H3;/q;3*-1;+3
InChIKeyFGCPYSGQVOVFIX-UHFFFAOYSA-N
MW224.00 g/mol
LogP-0.18
Rot. Bonds6

About trimethoxyalumane;trimethyl borate

trimethoxyalumane;trimethyl borate (PubChem CID 158021498) has the molecular formula C6H18AlBO6 and a molecular weight of 224.00 g/mol. Its IUPAC name is trimethoxyalumane;trimethyl borate.

Molecular Properties

Compound Nametrimethoxyalumane;trimethyl borate
PubChem CID158021498
Molecular FormulaC6H18AlBO6
Molecular Weight224.00 g/mol
Exact Mass224.10
IUPAC Nametrimethoxyalumane;trimethyl borate
SMILESCOB(OC)OC.CO[Al](OC)OC
InChIInChI=1S/C3H9BO3.3CH3O.Al/c1-5-4(6-2)7-3;3*1-2;/h1-3H3;3*1H3;/q;3*-1;+3
InChIKeyFGCPYSGQVOVFIX-UHFFFAOYSA-N
XLogP-0.18
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxyalumane;trimethyl borate?
The IUPAC name of trimethoxyalumane;trimethyl borate (CID 158021498) is trimethoxyalumane;trimethyl borate.
What is the SMILES notation for trimethoxyalumane;trimethyl borate?
The canonical SMILES for trimethoxyalumane;trimethyl borate is COB(OC)OC.CO[Al](OC)OC.
What is the InChIKey of trimethoxyalumane;trimethyl borate?
The InChIKey is FGCPYSGQVOVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9BO3.3CH3O.Al/c1-5-4(6-2)7-3;3*1-2;/h1-3H3;3*1H3;/q;3*-1;+3.
What are the key properties of trimethoxyalumane;trimethyl borate?
trimethoxyalumane;trimethyl borate has a molecular weight of 224.00 g/mol, XLogP of -0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxyalumane;trimethyl borate is sourced from PubChem (CID 158021498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).