4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane

C21H25F5O2Si — CID 91733065

IUPAC4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](OCC(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25F5O2Si/c1-17(2)10-9-15-27-29(18-11-5-3-6-12-18,19-13-7-4-8-14-19)28-16-20(22,23)21(24,25)26/h3-8,11-14,17H,9-10,15-16H2,1-2H3
InChIKeyCHNSAUSNKXXQDB-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.91
Rot. Bonds10

About 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane

4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane (PubChem CID 91733065) has the molecular formula C21H25F5O2Si and a molecular weight of 432.51 g/mol. Its IUPAC name is 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane.

Molecular Properties

Compound Name4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane
PubChem CID91733065
Molecular FormulaC21H25F5O2Si
Molecular Weight432.51 g/mol
Exact Mass432.15
IUPAC Name4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](OCC(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25F5O2Si/c1-17(2)10-9-15-27-29(18-11-5-3-6-12-18,19-13-7-4-8-14-19)28-16-20(22,23)21(24,25)26/h3-8,11-14,17H,9-10,15-16H2,1-2H3
InChIKeyCHNSAUSNKXXQDB-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane?
The IUPAC name of 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane (CID 91733065) is 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane.
What is the SMILES notation for 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane?
The canonical SMILES for 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane is CC(C)CCCO[Si](OCC(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane?
The InChIKey is CHNSAUSNKXXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F5O2Si/c1-17(2)10-9-15-27-29(18-11-5-3-6-12-18,19-13-7-4-8-14-19)28-16-20(22,23)21(24,25)26/h3-8,11-14,17H,9-10,15-16H2,1-2H3.
What are the key properties of 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane?
4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane has a molecular weight of 432.51 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentoxy-(2,2,3,3,3-pentafluoropropoxy)-diphenylsilane is sourced from PubChem (CID 91733065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).