tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane

C22H46GeOSi2 — CID 135077532

IUPACtert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane
SMILESC=CCC(C(C#C[Ge](C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46GeOSi2/c1-15-16-20(25(11,12)21(2,3)4)19(17-18-23(8,9)10)24-26(13,14)22(5,6)7/h15,19-20H,1,16H2,2-14H3
InChIKeyRLDOBOTUMCOVNN-UHFFFAOYSA-N
MW455.39 g/mol
LogP7.71
Rot. Bonds6

About tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane

tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane (PubChem CID 135077532) has the molecular formula C22H46GeOSi2 and a molecular weight of 455.39 g/mol. Its IUPAC name is tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane
PubChem CID135077532
Molecular FormulaC22H46GeOSi2
Molecular Weight455.39 g/mol
Exact Mass456.23
IUPAC Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane
SMILESC=CCC(C(C#C[Ge](C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46GeOSi2/c1-15-16-20(25(11,12)21(2,3)4)19(17-18-23(8,9)10)24-26(13,14)22(5,6)7/h15,19-20H,1,16H2,2-14H3
InChIKeyRLDOBOTUMCOVNN-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 57.71
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane (CID 135077532) is tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane is C=CCC(C(C#C[Ge](C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane?
The InChIKey is RLDOBOTUMCOVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46GeOSi2/c1-15-16-20(25(11,12)21(2,3)4)19(17-18-23(8,9)10)24-26(13,14)22(5,6)7/h15,19-20H,1,16H2,2-14H3.
What are the key properties of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane?
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane has a molecular weight of 455.39 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane is sourced from PubChem (CID 135077532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).