dibutoxyalumanyl triethyl silicate

C14H33AlO6Si — CID 16704474

IUPACdibutoxyalumanyl triethyl silicate
SMILESCCCCO[Al](OCCCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-2-3-4-5;/h4-6H2,1-3H3;2*2-4H2,1H3;/q3*-1;+3
InChIKeyNYSQFHDCMZYMRR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.17
Rot. Bonds16

About dibutoxyalumanyl triethyl silicate

dibutoxyalumanyl triethyl silicate (PubChem CID 16704474) has the molecular formula C14H33AlO6Si and a molecular weight of 352.48 g/mol. Its IUPAC name is dibutoxyalumanyl triethyl silicate.

Molecular Properties

Compound Namedibutoxyalumanyl triethyl silicate
PubChem CID16704474
Molecular FormulaC14H33AlO6Si
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Namedibutoxyalumanyl triethyl silicate
SMILESCCCCO[Al](OCCCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-2-3-4-5;/h4-6H2,1-3H3;2*2-4H2,1H3;/q3*-1;+3
InChIKeyNYSQFHDCMZYMRR-UHFFFAOYSA-N
XLogP3.17
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dibutoxyalumanyl triethyl silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibutoxyalumanyl tripropyl silicate
CID 87261857
butoxy(dimethyl)alumane
CID 16697704
trioctoxyalumane
CID 16712392
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
ethyl dimethyl pentyl silicate
CID 88851017
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
tributyl octyl silicate
CID 141280761
[dibutyl(triethoxysilyloxy)stannyl] triethyl silicate
CID 16684289
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267

Frequently Asked Questions

What is the IUPAC name of dibutoxyalumanyl triethyl silicate?
The IUPAC name of dibutoxyalumanyl triethyl silicate (CID 16704474) is dibutoxyalumanyl triethyl silicate.
What is the SMILES notation for dibutoxyalumanyl triethyl silicate?
The canonical SMILES for dibutoxyalumanyl triethyl silicate is CCCCO[Al](OCCCC)O[Si](OCC)(OCC)OCC.
What is the InChIKey of dibutoxyalumanyl triethyl silicate?
The InChIKey is NYSQFHDCMZYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-2-3-4-5;/h4-6H2,1-3H3;2*2-4H2,1H3;/q3*-1;+3.
What are the key properties of dibutoxyalumanyl triethyl silicate?
dibutoxyalumanyl triethyl silicate has a molecular weight of 352.48 g/mol, XLogP of 3.17, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxyalumanyl triethyl silicate is sourced from PubChem (CID 16704474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).