di(butan-2-yloxy)alumanyl triethyl silicate

C14H33AlO6Si — CID 16684138

IUPACdi(butan-2-yloxy)alumanyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)O[Al](OC(C)CC)OC(C)CC
InChIInChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-3-4(2)5;/h4-6H2,1-3H3;2*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyMTHHTRVJDXYJHE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.16
Rot. Bonds14

About di(butan-2-yloxy)alumanyl triethyl silicate

di(butan-2-yloxy)alumanyl triethyl silicate (PubChem CID 16684138) has the molecular formula C14H33AlO6Si and a molecular weight of 352.48 g/mol. Its IUPAC name is di(butan-2-yloxy)alumanyl triethyl silicate.

Molecular Properties

Compound Namedi(butan-2-yloxy)alumanyl triethyl silicate
PubChem CID16684138
Molecular FormulaC14H33AlO6Si
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Namedi(butan-2-yloxy)alumanyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)O[Al](OC(C)CC)OC(C)CC
InChIInChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-3-4(2)5;/h4-6H2,1-3H3;2*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyMTHHTRVJDXYJHE-UHFFFAOYSA-N
XLogP3.16
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.16
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 di(butan-2-yloxy)alumanyl triethyl silicate?
The IUPAC name of di(butan-2-yloxy)alumanyl triethyl silicate (CID 16684138) is di(butan-2-yloxy)alumanyl triethyl silicate.
What is the SMILES notation for di(butan-2-yloxy)alumanyl triethyl silicate?
The canonical SMILES for di(butan-2-yloxy)alumanyl triethyl silicate is CCO[Si](OCC)(OCC)O[Al](OC(C)CC)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)alumanyl triethyl silicate?
The InChIKey is MTHHTRVJDXYJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-3-4(2)5;/h4-6H2,1-3H3;2*4H,3H2,1-2H3;/q3*-1;+3.
What are the key properties of di(butan-2-yloxy)alumanyl triethyl silicate?
di(butan-2-yloxy)alumanyl triethyl silicate has a molecular weight of 352.48 g/mol, XLogP of 3.16, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)alumanyl triethyl silicate is sourced from PubChem (CID 16684138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).