2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C18H44O4Si4 — CID 22084409

IUPAC2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCC[Si]1(C)O[Si](C)(CCC)O[Si](C)(CCCC)O[Si](C)(CCC)O1
InChIInChI=1S/C18H44O4Si4/c1-9-13-17-25(7)19-23(5,15-11-3)21-26(8,18-14-10-2)22-24(6,20-25)16-12-4/h9-18H2,1-8H3
InChIKeyYCXNOJQJZILAPA-UHFFFAOYSA-N
MW436.89 g/mol
LogP6.77
Rot. Bonds10

About 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 22084409) has the molecular formula C18H44O4Si4 and a molecular weight of 436.89 g/mol. Its IUPAC name is 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID22084409
Molecular FormulaC18H44O4Si4
Molecular Weight436.89 g/mol
Exact Mass436.23
IUPAC Name2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCC[Si]1(C)O[Si](C)(CCC)O[Si](C)(CCCC)O[Si](C)(CCC)O1
InChIInChI=1S/C18H44O4Si4/c1-9-13-17-25(7)19-23(5,15-11-3)21-26(8,18-14-10-2)22-24(6,20-25)16-12-4/h9-18H2,1-8H3
InChIKeyYCXNOJQJZILAPA-UHFFFAOYSA-N
XLogP6.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.89
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 22084409) is 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCC[Si]1(C)O[Si](C)(CCC)O[Si](C)(CCCC)O[Si](C)(CCC)O1.
What is the InChIKey of 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is YCXNOJQJZILAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44O4Si4/c1-9-13-17-25(7)19-23(5,15-11-3)21-26(8,18-14-10-2)22-24(6,20-25)16-12-4/h9-18H2,1-8H3.
What are the key properties of 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 436.89 g/mol, XLogP of 6.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 22084409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).