2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C12H32O4Si4 — CID 20691840

IUPAC2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCC[Si]1(C)O[Si](C)(CC)O[Si](C)(C)O[Si](C)(CC)O1
InChIInChI=1S/C12H32O4Si4/c1-9-12-20(8)15-18(6,10-2)13-17(4,5)14-19(7,11-3)16-20/h9-12H2,1-8H3
InChIKeyNJQJSDRMQKIBBE-UHFFFAOYSA-N
MW352.73 g/mol
LogP4.43
Rot. Bonds4

About 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 20691840) has the molecular formula C12H32O4Si4 and a molecular weight of 352.73 g/mol. Its IUPAC name is 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID20691840
Molecular FormulaC12H32O4Si4
Molecular Weight352.73 g/mol
Exact Mass352.14
IUPAC Name2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCC[Si]1(C)O[Si](C)(CC)O[Si](C)(C)O[Si](C)(CC)O1
InChIInChI=1S/C12H32O4Si4/c1-9-12-20(8)15-18(6,10-2)13-17(4,5)14-19(7,11-3)16-20/h9-12H2,1-8H3
InChIKeyNJQJSDRMQKIBBE-UHFFFAOYSA-N
XLogP4.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 54.43
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-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 20691840) is 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCC[Si]1(C)O[Si](C)(CC)O[Si](C)(C)O[Si](C)(CC)O1.
What is the InChIKey of 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is NJQJSDRMQKIBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32O4Si4/c1-9-12-20(8)15-18(6,10-2)13-17(4,5)14-19(7,11-3)16-20/h9-12H2,1-8H3.
What are the key properties of 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 352.73 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 20691840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).