2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C24H56O8Si4 — CID 546817

IUPAC2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCCO[Si]1(CC)O[Si](CC)(OCCCC)O[Si](CC)(OCCCC)O[Si](CC)(OCCCC)O1
InChIInChI=1S/C24H56O8Si4/c1-9-17-21-25-33(13-5)29-34(14-6,26-22-18-10-2)31-36(16-8,28-24-20-12-4)32-35(15-7,30-33)27-23-19-11-3/h9-24H2,1-8H3
InChIKeyHSXKVXHTKVGPIG-UHFFFAOYSA-N
MW585.05 g/mol
LogP7.17
Rot. Bonds20

About 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 546817) has the molecular formula C24H56O8Si4 and a molecular weight of 585.05 g/mol. Its IUPAC name is 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID546817
Molecular FormulaC24H56O8Si4
Molecular Weight585.05 g/mol
Exact Mass584.31
IUPAC Name2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCCO[Si]1(CC)O[Si](CC)(OCCCC)O[Si](CC)(OCCCC)O[Si](CC)(OCCCC)O1
InChIInChI=1S/C24H56O8Si4/c1-9-17-21-25-33(13-5)29-34(14-6,26-22-18-10-2)31-36(16-8,28-24-20-12-4)32-35(15-7,30-33)27-23-19-11-3/h9-24H2,1-8H3
InChIKeyHSXKVXHTKVGPIG-UHFFFAOYSA-N
XLogP7.17
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.05
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 546817) is 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCCO[Si]1(CC)O[Si](CC)(OCCCC)O[Si](CC)(OCCCC)O[Si](CC)(OCCCC)O1.
What is the InChIKey of 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is HSXKVXHTKVGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56O8Si4/c1-9-17-21-25-33(13-5)29-34(14-6,26-22-18-10-2)31-36(16-8,28-24-20-12-4)32-35(15-7,30-33)27-23-19-11-3/h9-24H2,1-8H3.
What are the key properties of 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 585.05 g/mol, XLogP of 7.17, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetrabutoxy-2,4,6,8-tetraethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 546817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).