dibutoxyalumanyl tripropyl silicate

C17H39AlO6Si — CID 87261857

IUPACdibutoxyalumanyl tripropyl silicate
SMILESCCCCO[Al](OCCCC)O[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C9H21O4Si.2C4H9O.Al/c1-4-7-11-14(10,12-8-5-2)13-9-6-3;2*1-2-3-4-5;/h4-9H2,1-3H3;2*2-4H2,1H3;/q3*-1;+3
InChIKeyAZLXMTMGYUPYCZ-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.34
Rot. Bonds19

About dibutoxyalumanyl tripropyl silicate

dibutoxyalumanyl tripropyl silicate (PubChem CID 87261857) has the molecular formula C17H39AlO6Si and a molecular weight of 394.56 g/mol. Its IUPAC name is dibutoxyalumanyl tripropyl silicate.

Molecular Properties

Compound Namedibutoxyalumanyl tripropyl silicate
PubChem CID87261857
Molecular FormulaC17H39AlO6Si
Molecular Weight394.56 g/mol
Exact Mass394.23
IUPAC Namedibutoxyalumanyl tripropyl silicate
SMILESCCCCO[Al](OCCCC)O[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C9H21O4Si.2C4H9O.Al/c1-4-7-11-14(10,12-8-5-2)13-9-6-3;2*1-2-3-4-5;/h4-9H2,1-3H3;2*2-4H2,1H3;/q3*-1;+3
InChIKeyAZLXMTMGYUPYCZ-UHFFFAOYSA-N
XLogP4.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.34
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'}

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Related Compounds

dibutoxyalumanyl triethyl silicate
CID 16704474
dipentyl dipropyl silicate
CID 524722
butoxy(dimethyl)alumane
CID 16697704
trioctoxyalumane
CID 16712392
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
tributyl octyl silicate
CID 141280761
dimethyl pentyl propyl silicate
CID 524721
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
ethyl(tripropoxy)silane;tributoxy(ethyl)silane
CID 160706387
decyl trihexyl silicate
CID 141280760
dimethyl dipropyl silicate;hydrate
CID 174450535

Frequently Asked Questions

What is the IUPAC name of dibutoxyalumanyl tripropyl silicate?
The IUPAC name of dibutoxyalumanyl tripropyl silicate (CID 87261857) is dibutoxyalumanyl tripropyl silicate.
What is the SMILES notation for dibutoxyalumanyl tripropyl silicate?
The canonical SMILES for dibutoxyalumanyl tripropyl silicate is CCCCO[Al](OCCCC)O[Si](OCCC)(OCCC)OCCC.
What is the InChIKey of dibutoxyalumanyl tripropyl silicate?
The InChIKey is AZLXMTMGYUPYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O4Si.2C4H9O.Al/c1-4-7-11-14(10,12-8-5-2)13-9-6-3;2*1-2-3-4-5;/h4-9H2,1-3H3;2*2-4H2,1H3;/q3*-1;+3.
What are the key properties of dibutoxyalumanyl tripropyl silicate?
dibutoxyalumanyl tripropyl silicate has a molecular weight of 394.56 g/mol, XLogP of 4.34, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxyalumanyl tripropyl silicate is sourced from PubChem (CID 87261857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).