[(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane

C20H46OSi4 — CID 101405055

IUPAC[(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane
SMILESCC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](C(C)(C)C)([Si](C)(C)C)C1
InChIInChI=1S/C20H46OSi4/c1-17-15-20(19(3,4)5,22(6,7)8)25(16-18(17)2,24(12,13)14)21-23(9,10)11/h15-16H2,1-14H3/t20-,25+/m1/s1
InChIKeyIUIBCVWZMOTUAJ-NLFFAJNJSA-N
MW414.93 g/mol
LogP7.60
Rot. Bonds4

About [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane

[(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane (PubChem CID 101405055) has the molecular formula C20H46OSi4 and a molecular weight of 414.93 g/mol. Its IUPAC name is [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane
PubChem CID101405055
Molecular FormulaC20H46OSi4
Molecular Weight414.93 g/mol
Exact Mass414.26
IUPAC Name[(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane
SMILESCC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](C(C)(C)C)([Si](C)(C)C)C1
InChIInChI=1S/C20H46OSi4/c1-17-15-20(19(3,4)5,22(6,7)8)25(16-18(17)2,24(12,13)14)21-23(9,10)11/h15-16H2,1-14H3/t20-,25+/m1/s1
InChIKeyIUIBCVWZMOTUAJ-NLFFAJNJSA-N
XLogP7.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane (CID 101405055) is [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane is CC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](C(C)(C)C)([Si](C)(C)C)C1.
What is the InChIKey of [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane?
The InChIKey is IUIBCVWZMOTUAJ-NLFFAJNJSA-N. The full InChI is InChI=1S/C20H46OSi4/c1-17-15-20(19(3,4)5,22(6,7)8)25(16-18(17)2,24(12,13)14)21-23(9,10)11/h15-16H2,1-14H3/t20-,25+/m1/s1.
What are the key properties of [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane?
[(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane has a molecular weight of 414.93 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-tert-butyl-3,4-dimethyl-1,6-bis(trimethylsilyl)-2,5-dihydrosilin-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 101405055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).