1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane

C21H50O3Si3 — CID 560661

IUPAC1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H50O3Si3/c1-19(2,3)25(10,11)22-16-18(24-27(14,15)21(7,8)9)17-23-26(12,13)20(4,5)6/h18H,16-17H2,1-15H3
InChIKeyNYTUTBJBHQVPGT-UHFFFAOYSA-N
MW434.89 g/mol
LogP7.42
Rot. Bonds8

About 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane

1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 560661) has the molecular formula C21H50O3Si3 and a molecular weight of 434.89 g/mol. Its IUPAC name is 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane
PubChem CID560661
Molecular FormulaC21H50O3Si3
Molecular Weight434.89 g/mol
Exact Mass434.31
IUPAC Name1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H50O3Si3/c1-19(2,3)25(10,11)22-16-18(24-27(14,15)21(7,8)9)17-23-26(12,13)20(4,5)6/h18H,16-17H2,1-15H3
InChIKeyNYTUTBJBHQVPGT-UHFFFAOYSA-N
XLogP7.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.89
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane (CID 560661) is 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane?
The InChIKey is NYTUTBJBHQVPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50O3Si3/c1-19(2,3)25(10,11)22-16-18(24-27(14,15)21(7,8)9)17-23-26(12,13)20(4,5)6/h18H,16-17H2,1-15H3.
What are the key properties of 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane?
1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 434.89 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 560661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).