3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane

C23H34O3SSi — CID 20730084

IUPAC3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane
SMILESCO[Si](CCCSCC(CC(C)c1ccccc1)c1ccccc1)(OC)OC
InChIInChI=1S/C23H34O3SSi/c1-20(21-12-7-5-8-13-21)18-23(22-14-9-6-10-15-22)19-27-16-11-17-28(24-2,25-3)26-4/h5-10,12-15,20,23H,11,16-19H2,1-4H3
InChIKeyIOOBKOTXWFXHCR-UHFFFAOYSA-N
MW418.68 g/mol
LogP5.97
Rot. Bonds13

About 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane

3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane (PubChem CID 20730084) has the molecular formula C23H34O3SSi and a molecular weight of 418.68 g/mol. Its IUPAC name is 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane
PubChem CID20730084
Molecular FormulaC23H34O3SSi
Molecular Weight418.68 g/mol
Exact Mass418.20
IUPAC Name3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane
SMILESCO[Si](CCCSCC(CC(C)c1ccccc1)c1ccccc1)(OC)OC
InChIInChI=1S/C23H34O3SSi/c1-20(21-12-7-5-8-13-21)18-23(22-14-9-6-10-15-22)19-27-16-11-17-28(24-2,25-3)26-4/h5-10,12-15,20,23H,11,16-19H2,1-4H3
InChIKeyIOOBKOTXWFXHCR-UHFFFAOYSA-N
XLogP5.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.68
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane?
The IUPAC name of 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane (CID 20730084) is 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane.
What is the SMILES notation for 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane?
The canonical SMILES for 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane is CO[Si](CCCSCC(CC(C)c1ccccc1)c1ccccc1)(OC)OC.
What is the InChIKey of 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane?
The InChIKey is IOOBKOTXWFXHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O3SSi/c1-20(21-12-7-5-8-13-21)18-23(22-14-9-6-10-15-22)19-27-16-11-17-28(24-2,25-3)26-4/h5-10,12-15,20,23H,11,16-19H2,1-4H3.
What are the key properties of 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane?
3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane has a molecular weight of 418.68 g/mol, XLogP of 5.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diphenylpentylsulfanyl)propyl-trimethoxysilane is sourced from PubChem (CID 20730084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).