2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C11H30O4Si4 — CID 175464343

IUPAC2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)(C)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C11H30O4Si4/c1-11(2,3)19(10)14-17(6,7)12-16(4,5)13-18(8,9)15-19/h1-10H3
InChIKeyCXFSOOOGJHENGS-UHFFFAOYSA-N
MW338.70 g/mol
LogP4.04
Rot. Bonds

About 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 175464343) has the molecular formula C11H30O4Si4 and a molecular weight of 338.70 g/mol. Its IUPAC name is 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID175464343
Molecular FormulaC11H30O4Si4
Molecular Weight338.70 g/mol
Exact Mass338.12
IUPAC Name2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)(C)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C11H30O4Si4/c1-11(2,3)19(10)14-17(6,7)12-16(4,5)13-18(8,9)15-19/h1-10H3
InChIKeyCXFSOOOGJHENGS-UHFFFAOYSA-N
XLogP4.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.70
LogP ≤ 54.04
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-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 175464343) is 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CC(C)(C)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is CXFSOOOGJHENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H30O4Si4/c1-11(2,3)19(10)14-17(6,7)12-16(4,5)13-18(8,9)15-19/h1-10H3.
What are the key properties of 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 338.70 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 175464343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).