1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane

C22H48Si3 — CID 90474099

IUPAC1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane
SMILESCC(=C=C([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48Si3/c1-18(23(11,12)20(2,3)4)17-19(24(13,14)21(5,6)7)25(15,16)22(8,9)10/h1-16H3
InChIKeyCCSZWFJJOGHJSO-UHFFFAOYSA-N
MW396.88 g/mol
LogP8.60
Rot. Bonds3

About 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane

1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane (PubChem CID 90474099) has the molecular formula C22H48Si3 and a molecular weight of 396.88 g/mol. Its IUPAC name is 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane
PubChem CID90474099
Molecular FormulaC22H48Si3
Molecular Weight396.88 g/mol
Exact Mass396.31
IUPAC Name1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane
SMILESCC(=C=C([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48Si3/c1-18(23(11,12)20(2,3)4)17-19(24(13,14)21(5,6)7)25(15,16)22(8,9)10/h1-16H3
InChIKeyCCSZWFJJOGHJSO-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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]buta-1,2-dienyl-tert-butyl-dimethylsilane?
The IUPAC name of 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane (CID 90474099) is 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane.
What is the SMILES notation for 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane?
The canonical SMILES for 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane is CC(=C=C([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane?
The InChIKey is CCSZWFJJOGHJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48Si3/c1-18(23(11,12)20(2,3)4)17-19(24(13,14)21(5,6)7)25(15,16)22(8,9)10/h1-16H3.
What are the key properties of 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane?
1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane has a molecular weight of 396.88 g/mol, XLogP of 8.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[tert-butyl(dimethyl)silyl]buta-1,2-dienyl-tert-butyl-dimethylsilane is sourced from PubChem (CID 90474099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).