triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane

C35H49NOSi — CID 24741040

IUPACtriphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane
SMILESCCCCCCC(CCCCCC)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C35H49NOSi/c1-3-5-7-18-28-35(29-19-8-6-4-2,34-27-20-30-36-34)37-38(31-21-12-9-13-22-31,32-23-14-10-15-24-32)33-25-16-11-17-26-33/h9-17,21-26,34,36H,3-8,18-20,27-30H2,1-2H3/t34-/m0/s1
InChIKeyCCWVYIYPIDBMHX-UMSFTDKQSA-N
MW527.87 g/mol
LogP7.10
Rot. Bonds16

About triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane

triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane (PubChem CID 24741040) has the molecular formula C35H49NOSi and a molecular weight of 527.87 g/mol. Its IUPAC name is triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane.

Molecular Properties

Compound Nametriphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane
PubChem CID24741040
Molecular FormulaC35H49NOSi
Molecular Weight527.87 g/mol
Exact Mass527.36
IUPAC Nametriphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane
SMILESCCCCCCC(CCCCCC)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C35H49NOSi/c1-3-5-7-18-28-35(29-19-8-6-4-2,34-27-20-30-36-34)37-38(31-21-12-9-13-22-31,32-23-14-10-15-24-32)33-25-16-11-17-26-33/h9-17,21-26,34,36H,3-8,18-20,27-30H2,1-2H3/t34-/m0/s1
InChIKeyCCWVYIYPIDBMHX-UMSFTDKQSA-N
XLogP7.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.87
LogP ≤ 57.10
H-Bond Donors ≤ 51
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane?
The IUPAC name of triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane (CID 24741040) is triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane.
What is the SMILES notation for triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane?
The canonical SMILES for triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane is CCCCCCC(CCCCCC)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane?
The InChIKey is CCWVYIYPIDBMHX-UMSFTDKQSA-N. The full InChI is InChI=1S/C35H49NOSi/c1-3-5-7-18-28-35(29-19-8-6-4-2,34-27-20-30-36-34)37-38(31-21-12-9-13-22-31,32-23-14-10-15-24-32)33-25-16-11-17-26-33/h9-17,21-26,34,36H,3-8,18-20,27-30H2,1-2H3/t34-/m0/s1.
What are the key properties of triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane?
triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane has a molecular weight of 527.87 g/mol, XLogP of 7.10, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[7-[(2S)-pyrrolidin-2-yl]tridecan-7-yloxy]silane is sourced from PubChem (CID 24741040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).