calcium bis(bis(triethylsilyl)azanide)

C24H60CaN2Si4 — CID 178065983

IUPACcalcium bis(bis(triethylsilyl)azanide)
SMILESCC[Si](CC)(CC)[N-][Si](CC)(CC)CC.CC[Si](CC)(CC)[N-][Si](CC)(CC)CC.[Ca+2]
InChIInChI=1S/2C12H30NSi2.Ca/c2*1-7-14(8-2,9-3)13-15(10-4,11-5)12-6;/h2*7-12H2,1-6H3;/q2*-1;+2
InChIKeyLZFYMFNHYYJCMR-UHFFFAOYSA-N
MW529.18 g/mol
LogP10.36
Rot. Bonds16

About calcium bis(bis(triethylsilyl)azanide)

calcium bis(bis(triethylsilyl)azanide) (PubChem CID 178065983) has the molecular formula C24H60CaN2Si4 and a molecular weight of 529.18 g/mol. Its IUPAC name is calcium bis(bis(triethylsilyl)azanide).

Molecular Properties

Compound Namecalcium bis(bis(triethylsilyl)azanide)
PubChem CID178065983
Molecular FormulaC24H60CaN2Si4
Molecular Weight529.18 g/mol
Exact Mass528.35
IUPAC Namecalcium bis(bis(triethylsilyl)azanide)
SMILESCC[Si](CC)(CC)[N-][Si](CC)(CC)CC.CC[Si](CC)(CC)[N-][Si](CC)(CC)CC.[Ca+2]
InChIInChI=1S/2C12H30NSi2.Ca/c2*1-7-14(8-2,9-3)13-15(10-4,11-5)12-6;/h2*7-12H2,1-6H3;/q2*-1;+2
InChIKeyLZFYMFNHYYJCMR-UHFFFAOYSA-N
XLogP10.36
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.18
LogP ≤ 510.36
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 calcium bis(bis(triethylsilyl)azanide)?
The IUPAC name of calcium bis(bis(triethylsilyl)azanide) (CID 178065983) is calcium bis(bis(triethylsilyl)azanide).
What is the SMILES notation for calcium bis(bis(triethylsilyl)azanide)?
The canonical SMILES for calcium bis(bis(triethylsilyl)azanide) is CC[Si](CC)(CC)[N-][Si](CC)(CC)CC.CC[Si](CC)(CC)[N-][Si](CC)(CC)CC.[Ca+2].
What is the InChIKey of calcium bis(bis(triethylsilyl)azanide)?
The InChIKey is LZFYMFNHYYJCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H30NSi2.Ca/c2*1-7-14(8-2,9-3)13-15(10-4,11-5)12-6;/h2*7-12H2,1-6H3;/q2*-1;+2.
What are the key properties of calcium bis(bis(triethylsilyl)azanide)?
calcium bis(bis(triethylsilyl)azanide) has a molecular weight of 529.18 g/mol, XLogP of 10.36, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(bis(triethylsilyl)azanide) is sourced from PubChem (CID 178065983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).