tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane

C30H66O2S4Si2 — CID 159645445

IUPACtridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane
SMILESCCCCCCCCCCCCCO[SiH2]CCSSSSCC[SiH2]OCCCCCCCCCCCCC
InChIInChI=1S/C30H66O2S4Si2/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-37-29-27-33-35-36-34-28-30-38-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30,37-38H2,1-2H3
InChIKeyMQWZVZRITZVBIA-UHFFFAOYSA-N
MW643.30 g/mol
LogP11.32
Rot. Bonds35

About tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane

tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane (PubChem CID 159645445) has the molecular formula C30H66O2S4Si2 and a molecular weight of 643.30 g/mol. Its IUPAC name is tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane.

Molecular Properties

Compound Nametridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane
PubChem CID159645445
Molecular FormulaC30H66O2S4Si2
Molecular Weight643.30 g/mol
Exact Mass642.35
IUPAC Nametridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane
SMILESCCCCCCCCCCCCCO[SiH2]CCSSSSCC[SiH2]OCCCCCCCCCCCCC
InChIInChI=1S/C30H66O2S4Si2/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-37-29-27-33-35-36-34-28-30-38-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30,37-38H2,1-2H3
InChIKeyMQWZVZRITZVBIA-UHFFFAOYSA-N
XLogP11.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.30
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

tris(3-pentoxysilylpropylsulfanyl)-sulfanylidene-λ5-phosphane
CID 123911461
1-(dodecylhexasulfanyl)dodecane
CID 139607418
1-(octadecylhexasulfanyl)octadecane
CID 54412885
dioctadecoxysilane
CID 175166097
(trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane
CID 149435193
dictoxy(prop-2-enyl)silane
CID 154513040
1-(hexyltrisulfanyl)octadecane
CID 140815608
ethoxymethoxy-[3-[3-[2-(ethoxymethoxy)ethoxysilyl]propyltetrasulfanyl]propyl]silane
CID 173161096
1-(butyltrisulfanyl)octane
CID 141156696
ethoxy(hexyl)silane;hydrofluoride
CID 174883569
1-octoxyoctane;titanium
CID 158207327
pentoxy-[2-[2-[pentoxy(dipropyl)silyl]ethyltetrasulfanyl]ethyl]-dipropylsilane
CID 54326115

Frequently Asked Questions

What is the IUPAC name of tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane?
The IUPAC name of tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane (CID 159645445) is tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane.
What is the SMILES notation for tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane?
The canonical SMILES for tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane is CCCCCCCCCCCCCO[SiH2]CCSSSSCC[SiH2]OCCCCCCCCCCCCC.
What is the InChIKey of tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane?
The InChIKey is MQWZVZRITZVBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66O2S4Si2/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-37-29-27-33-35-36-34-28-30-38-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30,37-38H2,1-2H3.
What are the key properties of tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane?
tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane has a molecular weight of 643.30 g/mol, XLogP of 11.32, 35 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane is sourced from PubChem (CID 159645445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).