propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane

C12H30S4Si2 — CID 173205728

IUPACpropyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane
SMILESCCC[SiH2]CCCSSSSCCC[SiH2]CCC
InChIInChI=1S/C12H30S4Si2/c1-3-9-17-11-5-7-13-15-16-14-8-6-12-18-10-4-2/h3-12,17-18H2,1-2H3
InChIKeyPHQREBAQSBWFSB-UHFFFAOYSA-N
MW358.81 g/mol
LogP5.28
Rot. Bonds15

About propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane

propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane (PubChem CID 173205728) has the molecular formula C12H30S4Si2 and a molecular weight of 358.81 g/mol. Its IUPAC name is propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane.

Molecular Properties

Compound Namepropyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane
PubChem CID173205728
Molecular FormulaC12H30S4Si2
Molecular Weight358.81 g/mol
Exact Mass358.08
IUPAC Namepropyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane
SMILESCCC[SiH2]CCCSSSSCCC[SiH2]CCC
InChIInChI=1S/C12H30S4Si2/c1-3-9-17-11-5-7-13-15-16-14-8-6-12-18-10-4-2/h3-12,17-18H2,1-2H3
InChIKeyPHQREBAQSBWFSB-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.81
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane?
The IUPAC name of propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane (CID 173205728) is propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane.
What is the SMILES notation for propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane?
The canonical SMILES for propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane is CCC[SiH2]CCCSSSSCCC[SiH2]CCC.
What is the InChIKey of propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane?
The InChIKey is PHQREBAQSBWFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30S4Si2/c1-3-9-17-11-5-7-13-15-16-14-8-6-12-18-10-4-2/h3-12,17-18H2,1-2H3.
What are the key properties of propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane?
propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane has a molecular weight of 358.81 g/mol, XLogP of 5.28, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl-[3-(3-propylsilylpropyltetrasulfanyl)propyl]silane is sourced from PubChem (CID 173205728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).