CID 45050202

C28H43Si — CID 45050202

IUPAC—
SMILESCCCCCCCCCCCCCCCC[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C28H43Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(27-22-17-15-18-23-27)28-24-19-16-20-25-28/h15-20,22-25H,2-14,21,26H2,1H3
InChIKeyYFSOOTUDAGSQEW-UHFFFAOYSA-N
MW407.74 g/mol
LogP7.78
Rot. Bonds17

About CID 45050202

CID 45050202 (PubChem CID 45050202) has the molecular formula C28H43Si and a molecular weight of 407.74 g/mol.

Molecular Properties

Compound NameCID 45050202
PubChem CID45050202
Molecular FormulaC28H43Si
Molecular Weight407.74 g/mol
Exact Mass407.31
IUPAC Name—
SMILESCCCCCCCCCCCCCCCC[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C28H43Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(27-22-17-15-18-23-27)28-24-19-16-20-25-28/h15-20,22-25H,2-14,21,26H2,1H3
InChIKeyYFSOOTUDAGSQEW-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.74
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 45050202?
The IUPAC name of CID 45050202 (CID 45050202) is not available.
What is the SMILES notation for CID 45050202?
The canonical SMILES for CID 45050202 is CCCCCCCCCCCCCCCC[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 45050202?
The InChIKey is YFSOOTUDAGSQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-29(27-22-17-15-18-23-27)28-24-19-16-20-25-28/h15-20,22-25H,2-14,21,26H2,1H3.
What are the key properties of CID 45050202?
CID 45050202 has a molecular weight of 407.74 g/mol, XLogP of 7.78, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45050202 is sourced from PubChem (CID 45050202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).