CID 101386423

C16H42F6GeO6S2Si6 — CID 101386423

IUPAC—
SMILESC[Ge]C.C[Si](C)(C)[Si](OS(=O)(=O)C(F)(F)F)[Si](C)(C)C.C[Si](C)(C)[Si](OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/2C7H18F3O3SSi3.C2H6Ge/c2*1-16(2,3)15(17(4,5)6)13-14(11,12)7(8,9)10;1-3-2/h2*1-6H3;1-2H3
InChIKeyVSVQMBMRFTXRCX-UHFFFAOYSA-N
MW749.75 g/mol
LogP6.14
Rot. Bonds8

About CID 101386423

CID 101386423 (PubChem CID 101386423) has the molecular formula C16H42F6GeO6S2Si6 and a molecular weight of 749.75 g/mol.

Molecular Properties

Compound NameCID 101386423
PubChem CID101386423
Molecular FormulaC16H42F6GeO6S2Si6
Molecular Weight749.75 g/mol
Exact Mass750.02
IUPAC Name—
SMILESC[Ge]C.C[Si](C)(C)[Si](OS(=O)(=O)C(F)(F)F)[Si](C)(C)C.C[Si](C)(C)[Si](OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/2C7H18F3O3SSi3.C2H6Ge/c2*1-16(2,3)15(17(4,5)6)13-14(11,12)7(8,9)10;1-3-2/h2*1-6H3;1-2H3
InChIKeyVSVQMBMRFTXRCX-UHFFFAOYSA-N
XLogP6.14
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.75
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101386423?
The IUPAC name of CID 101386423 (CID 101386423) is not available.
What is the SMILES notation for CID 101386423?
The canonical SMILES for CID 101386423 is C[Ge]C.C[Si](C)(C)[Si](OS(=O)(=O)C(F)(F)F)[Si](C)(C)C.C[Si](C)(C)[Si](OS(=O)(=O)C(F)(F)F)[Si](C)(C)C.
What is the InChIKey of CID 101386423?
The InChIKey is VSVQMBMRFTXRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H18F3O3SSi3.C2H6Ge/c2*1-16(2,3)15(17(4,5)6)13-14(11,12)7(8,9)10;1-3-2/h2*1-6H3;1-2H3.
What are the key properties of CID 101386423?
CID 101386423 has a molecular weight of 749.75 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101386423 is sourced from PubChem (CID 101386423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).