CID 11768417

C54H74F6OSi6Sn2 — CID 11768417

IUPAC—
SMILESC[Si](C)(C[Sn](C[Si](C)(C)c1ccc(F)cc1)C[Si](C)(C)c1ccc(F)cc1)c1ccc(F)cc1.C[Si](C)(C[Sn](C[Si](C)(C)c1ccc(F)cc1)C[Si](C)(C)c1ccc(F)cc1)c1ccc(F)cc1.O
InChIInChI=1S/6C9H12FSi.H2O.2Sn/c6*1-11(2,3)9-6-4-8(10)5-7-9;;;/h6*4-7H,1H2,2-3H3;1H2;;
InChIKeyQIWLMUNPAQRWSL-UHFFFAOYSA-N
MW1259.11 g/mol
LogP11.90
Rot. Bonds18

About CID 11768417

CID 11768417 (PubChem CID 11768417) has the molecular formula C54H74F6OSi6Sn2 and a molecular weight of 1259.11 g/mol.

Molecular Properties

Compound NameCID 11768417
PubChem CID11768417
Molecular FormulaC54H74F6OSi6Sn2
Molecular Weight1259.11 g/mol
Exact Mass1260.23
IUPAC Name—
SMILESC[Si](C)(C[Sn](C[Si](C)(C)c1ccc(F)cc1)C[Si](C)(C)c1ccc(F)cc1)c1ccc(F)cc1.C[Si](C)(C[Sn](C[Si](C)(C)c1ccc(F)cc1)C[Si](C)(C)c1ccc(F)cc1)c1ccc(F)cc1.O
InChIInChI=1S/6C9H12FSi.H2O.2Sn/c6*1-11(2,3)9-6-4-8(10)5-7-9;;;/h6*4-7H,1H2,2-3H3;1H2;;
InChIKeyQIWLMUNPAQRWSL-UHFFFAOYSA-N
XLogP11.90
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.11
LogP ≤ 511.90
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 CID 11768417?
The IUPAC name of CID 11768417 (CID 11768417) is not available.
What is the SMILES notation for CID 11768417?
The canonical SMILES for CID 11768417 is C[Si](C)(C[Sn](C[Si](C)(C)c1ccc(F)cc1)C[Si](C)(C)c1ccc(F)cc1)c1ccc(F)cc1.C[Si](C)(C[Sn](C[Si](C)(C)c1ccc(F)cc1)C[Si](C)(C)c1ccc(F)cc1)c1ccc(F)cc1.O.
What is the InChIKey of CID 11768417?
The InChIKey is QIWLMUNPAQRWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H12FSi.H2O.2Sn/c6*1-11(2,3)9-6-4-8(10)5-7-9;;;/h6*4-7H,1H2,2-3H3;1H2;;.
What are the key properties of CID 11768417?
CID 11768417 has a molecular weight of 1259.11 g/mol, XLogP of 11.90, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11768417 is sourced from PubChem (CID 11768417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).