lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane

C35H79LiO2Si5 — CID 23696687

IUPAClithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)(C)[Si](C)([Si-]=[Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Li+]
InChIInChI=1S/C27H63Si5.2C4H8O.Li/c1-22(2,3)30(19,23(4,5)6)28-29(31(20,24(7,8)9)25(10,11)12)32(21,26(13,14)15)27(16,17)18;2*1-2-4-5-3-1;/h1-21H3;2*1-4H2;/q-1;;;+1
InChIKeyLMGDJONZEDSXJE-UHFFFAOYSA-N
MW679.39 g/mol
LogP8.97
Rot. Bonds3

About lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane

lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane (PubChem CID 23696687) has the molecular formula C35H79LiO2Si5 and a molecular weight of 679.39 g/mol. Its IUPAC name is lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane.

Molecular Properties

Compound Namelithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane
PubChem CID23696687
Molecular FormulaC35H79LiO2Si5
Molecular Weight679.39 g/mol
Exact Mass678.51
IUPAC Namelithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)(C)[Si](C)([Si-]=[Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Li+]
InChIInChI=1S/C27H63Si5.2C4H8O.Li/c1-22(2,3)30(19,23(4,5)6)28-29(31(20,24(7,8)9)25(10,11)12)32(21,26(13,14)15)27(16,17)18;2*1-2-4-5-3-1;/h1-21H3;2*1-4H2;/q-1;;;+1
InChIKeyLMGDJONZEDSXJE-UHFFFAOYSA-N
XLogP8.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.39
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane?
The IUPAC name of lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane (CID 23696687) is lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane.
What is the SMILES notation for lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane?
The canonical SMILES for lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane is C1CCOC1.C1CCOC1.CC(C)(C)[Si](C)([Si-]=[Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Li+].
What is the InChIKey of lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane?
The InChIKey is LMGDJONZEDSXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H63Si5.2C4H8O.Li/c1-22(2,3)30(19,23(4,5)6)28-29(31(20,24(7,8)9)25(10,11)12)32(21,26(13,14)15)27(16,17)18;2*1-2-4-5-3-1;/h1-21H3;2*1-4H2;/q-1;;;+1.
What are the key properties of lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane?
lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane has a molecular weight of 679.39 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis[ditert-butyl(methyl)silyl]silylidene-[ditert-butyl(methyl)silyl]silanide;oxolane is sourced from PubChem (CID 23696687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).