1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane

C13H34O3Si3 — CID 568539

IUPAC1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane
SMILESC[Si](C)(C)OCCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H34O3Si3/c1-17(2,3)14-11-10-13(16-19(7,8)9)12-15-18(4,5)6/h13H,10-12H2,1-9H3
InChIKeyZWTQGTCQGKKVSN-UHFFFAOYSA-N
MW322.67 g/mol
LogP4.30
Rot. Bonds9

About 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane

1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane (PubChem CID 568539) has the molecular formula C13H34O3Si3 and a molecular weight of 322.67 g/mol. Its IUPAC name is 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane
PubChem CID568539
Molecular FormulaC13H34O3Si3
Molecular Weight322.67 g/mol
Exact Mass322.18
IUPAC Name1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane
SMILESC[Si](C)(C)OCCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H34O3Si3/c1-17(2,3)14-11-10-13(16-19(7,8)9)12-15-18(4,5)6/h13H,10-12H2,1-9H3
InChIKeyZWTQGTCQGKKVSN-UHFFFAOYSA-N
XLogP4.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 54.30
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 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane?
The IUPAC name of 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane (CID 568539) is 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane.
What is the SMILES notation for 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane?
The canonical SMILES for 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane is C[Si](C)(C)OCCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane?
The InChIKey is ZWTQGTCQGKKVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34O3Si3/c1-17(2,3)14-11-10-13(16-19(7,8)9)12-15-18(4,5)6/h13H,10-12H2,1-9H3.
What are the key properties of 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane?
1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane has a molecular weight of 322.67 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(trimethylsilyloxy)butan-2-yloxy-trimethylsilane is sourced from PubChem (CID 568539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).