heptadecyl(triphenyl)silane

C35H50Si — CID 4520075

IUPACheptadecyl(triphenyl)silane
SMILESCCCCCCCCCCCCCCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H50Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-36(33-26-19-16-20-27-33,34-28-21-17-22-29-34)35-30-23-18-24-31-35/h16-24,26-31H,2-15,25,32H2,1H3
InChIKeySGPVJLOSGHYSML-UHFFFAOYSA-N
MW498.87 g/mol
LogP9.03
Rot. Bonds19

About heptadecyl(triphenyl)silane

heptadecyl(triphenyl)silane (PubChem CID 4520075) has the molecular formula C35H50Si and a molecular weight of 498.87 g/mol. Its IUPAC name is heptadecyl(triphenyl)silane.

Molecular Properties

Compound Nameheptadecyl(triphenyl)silane
PubChem CID4520075
Molecular FormulaC35H50Si
Molecular Weight498.87 g/mol
Exact Mass498.37
IUPAC Nameheptadecyl(triphenyl)silane
SMILESCCCCCCCCCCCCCCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H50Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-36(33-26-19-16-20-27-33,34-28-21-17-22-29-34)35-30-23-18-24-31-35/h16-24,26-31H,2-15,25,32H2,1H3
InChIKeySGPVJLOSGHYSML-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.87
LogP ≤ 59.03
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of heptadecyl(triphenyl)silane?
The IUPAC name of heptadecyl(triphenyl)silane (CID 4520075) is heptadecyl(triphenyl)silane.
What is the SMILES notation for heptadecyl(triphenyl)silane?
The canonical SMILES for heptadecyl(triphenyl)silane is CCCCCCCCCCCCCCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptadecyl(triphenyl)silane?
The InChIKey is SGPVJLOSGHYSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-36(33-26-19-16-20-27-33,34-28-21-17-22-29-34)35-30-23-18-24-31-35/h16-24,26-31H,2-15,25,32H2,1H3.
What are the key properties of heptadecyl(triphenyl)silane?
heptadecyl(triphenyl)silane has a molecular weight of 498.87 g/mol, XLogP of 9.03, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecyl(triphenyl)silane is sourced from PubChem (CID 4520075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).