sodium tritert-butylsilanide

C12H27NaSi — CID 13329819

IUPACsodium tritert-butylsilanide
SMILESCC(C)(C)[Si-](C(C)(C)C)C(C)(C)C.[Na+]
InChIInChI=1S/C12H27Si.Na/c1-10(2,3)13(11(4,5)6)12(7,8)9;/h1-9H3;/q-1;+1
InChIKeyBIHQRKGZUDWWGS-UHFFFAOYSA-N
MW222.42 g/mol
LogP1.89
Rot. Bonds

About sodium tritert-butylsilanide

sodium tritert-butylsilanide (PubChem CID 13329819) has the molecular formula C12H27NaSi and a molecular weight of 222.42 g/mol. Its IUPAC name is sodium tritert-butylsilanide.

Molecular Properties

Compound Namesodium tritert-butylsilanide
PubChem CID13329819
Molecular FormulaC12H27NaSi
Molecular Weight222.42 g/mol
Exact Mass222.18
IUPAC Namesodium tritert-butylsilanide
SMILESCC(C)(C)[Si-](C(C)(C)C)C(C)(C)C.[Na+]
InChIInChI=1S/C12H27Si.Na/c1-10(2,3)13(11(4,5)6)12(7,8)9;/h1-9H3;/q-1;+1
InChIKeyBIHQRKGZUDWWGS-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 51.89
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 sodium tritert-butylsilanide?
The IUPAC name of sodium tritert-butylsilanide (CID 13329819) is sodium tritert-butylsilanide.
What is the SMILES notation for sodium tritert-butylsilanide?
The canonical SMILES for sodium tritert-butylsilanide is CC(C)(C)[Si-](C(C)(C)C)C(C)(C)C.[Na+].
What is the InChIKey of sodium tritert-butylsilanide?
The InChIKey is BIHQRKGZUDWWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27Si.Na/c1-10(2,3)13(11(4,5)6)12(7,8)9;/h1-9H3;/q-1;+1.
What are the key properties of sodium tritert-butylsilanide?
sodium tritert-butylsilanide has a molecular weight of 222.42 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tritert-butylsilanide is sourced from PubChem (CID 13329819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).