[2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane

C23H32OS2Si — CID 14862241

IUPAC[2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane
SMILESCSC1(SC)CCC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32OS2Si/c1-22(2,3)27(20-12-8-6-9-13-20,21-14-10-7-11-15-21)24-18-19-16-17-23(19,25-4)26-5/h6-15,19H,16-18H2,1-5H3
InChIKeySWZFEMZJRZQHDB-UHFFFAOYSA-N
MW416.73 g/mol
LogP5.40
Rot. Bonds7

About [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane

[2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 14862241) has the molecular formula C23H32OS2Si and a molecular weight of 416.73 g/mol. Its IUPAC name is [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane
PubChem CID14862241
Molecular FormulaC23H32OS2Si
Molecular Weight416.73 g/mol
Exact Mass416.17
IUPAC Name[2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane
SMILESCSC1(SC)CCC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32OS2Si/c1-22(2,3)27(20-12-8-6-9-13-20,21-14-10-7-11-15-21)24-18-19-16-17-23(19,25-4)26-5/h6-15,19H,16-18H2,1-5H3
InChIKeySWZFEMZJRZQHDB-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane (CID 14862241) is [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane is CSC1(SC)CCC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is SWZFEMZJRZQHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OS2Si/c1-22(2,3)27(20-12-8-6-9-13-20,21-14-10-7-11-15-21)24-18-19-16-17-23(19,25-4)26-5/h6-15,19H,16-18H2,1-5H3.
What are the key properties of [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane?
[2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 416.73 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(methylsulfanyl)cyclobutyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 14862241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).