CID 10963306

C21H45Cl3GeN3OSi4-2 — CID 10963306

IUPAC—
SMILESC[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.O[C@H]([C@@H](C[Ge])c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C9H9Cl3GeNO.2C6H18NSi2/c10-9(11,12)8(15)6(5-13)7-3-1-2-4-14-7;2*1-8(2,3)7-9(4,5)6/h1-4,6,8,15H,5H2;2*1-6H3/q;2*-1/t6-,8+;;/m0../s1
InChIKeyNXQZYAPQDYOPBA-OQUWVHHMSA-N
MW646.92 g/mol
LogP8.54
Rot. Bonds7

About CID 10963306

CID 10963306 (PubChem CID 10963306) has the molecular formula C21H45Cl3GeN3OSi4-2 and a molecular weight of 646.92 g/mol.

Molecular Properties

Compound NameCID 10963306
PubChem CID10963306
Molecular FormulaC21H45Cl3GeN3OSi4-2
Molecular Weight646.92 g/mol
Exact Mass646.09
IUPAC Name—
SMILESC[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.O[C@H]([C@@H](C[Ge])c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C9H9Cl3GeNO.2C6H18NSi2/c10-9(11,12)8(15)6(5-13)7-3-1-2-4-14-7;2*1-8(2,3)7-9(4,5)6/h1-4,6,8,15H,5H2;2*1-6H3/q;2*-1/t6-,8+;;/m0../s1
InChIKeyNXQZYAPQDYOPBA-OQUWVHHMSA-N
XLogP8.54
TPSA61.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.92
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10963306?
The IUPAC name of CID 10963306 (CID 10963306) is not available.
What is the SMILES notation for CID 10963306?
The canonical SMILES for CID 10963306 is C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.O[C@H]([C@@H](C[Ge])c1ccccn1)C(Cl)(Cl)Cl.
What is the InChIKey of CID 10963306?
The InChIKey is NXQZYAPQDYOPBA-OQUWVHHMSA-N. The full InChI is InChI=1S/C9H9Cl3GeNO.2C6H18NSi2/c10-9(11,12)8(15)6(5-13)7-3-1-2-4-14-7;2*1-8(2,3)7-9(4,5)6/h1-4,6,8,15H,5H2;2*1-6H3/q;2*-1/t6-,8+;;/m0../s1.
What are the key properties of CID 10963306?
CID 10963306 has a molecular weight of 646.92 g/mol, XLogP of 8.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10963306 is sourced from PubChem (CID 10963306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).