4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane

C14H32OS2Si — CID 71424923

IUPAC4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane
SMILESCCSC(CCCO[Si](C)(C)C(C)(C)C)SCC
InChIInChI=1S/C14H32OS2Si/c1-8-16-13(17-9-2)11-10-12-15-18(6,7)14(3,4)5/h13H,8-12H2,1-7H3
InChIKeyQTUAMSUVHHZJQV-UHFFFAOYSA-N
MW308.63 g/mol
LogP5.62
Rot. Bonds9

About 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane

4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane (PubChem CID 71424923) has the molecular formula C14H32OS2Si and a molecular weight of 308.63 g/mol. Its IUPAC name is 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane
PubChem CID71424923
Molecular FormulaC14H32OS2Si
Molecular Weight308.63 g/mol
Exact Mass308.17
IUPAC Name4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane
SMILESCCSC(CCCO[Si](C)(C)C(C)(C)C)SCC
InChIInChI=1S/C14H32OS2Si/c1-8-16-13(17-9-2)11-10-12-15-18(6,7)14(3,4)5/h13H,8-12H2,1-7H3
InChIKeyQTUAMSUVHHZJQV-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.63
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane (CID 71424923) is 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane is CCSC(CCCO[Si](C)(C)C(C)(C)C)SCC.
What is the InChIKey of 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane?
The InChIKey is QTUAMSUVHHZJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32OS2Si/c1-8-16-13(17-9-2)11-10-12-15-18(6,7)14(3,4)5/h13H,8-12H2,1-7H3.
What are the key properties of 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane?
4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane has a molecular weight of 308.63 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethylsulfanyl)butoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71424923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).