2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol

C16H28OSSi — CID 19971999

IUPAC2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol
SMILESCC[Si](CC)(CC)CSc1cc(C)c(O)c(C)c1C
InChIInChI=1S/C16H28OSSi/c1-7-19(8-2,9-3)11-18-15-10-12(4)16(17)14(6)13(15)5/h10,17H,7-9,11H2,1-6H3
InChIKeyXNDRSKZMCBFBBW-UHFFFAOYSA-N
MW296.55 g/mol
LogP5.46
Rot. Bonds6

About 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol

2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol (PubChem CID 19971999) has the molecular formula C16H28OSSi and a molecular weight of 296.55 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol.

Molecular Properties

Compound Name2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol
PubChem CID19971999
Molecular FormulaC16H28OSSi
Molecular Weight296.55 g/mol
Exact Mass296.16
IUPAC Name2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol
SMILESCC[Si](CC)(CC)CSc1cc(C)c(O)c(C)c1C
InChIInChI=1S/C16H28OSSi/c1-7-19(8-2,9-3)11-18-15-10-12(4)16(17)14(6)13(15)5/h10,17H,7-9,11H2,1-6H3
InChIKeyXNDRSKZMCBFBBW-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol?
The IUPAC name of 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol (CID 19971999) is 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol.
What is the SMILES notation for 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol?
The canonical SMILES for 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol is CC[Si](CC)(CC)CSc1cc(C)c(O)c(C)c1C.
What is the InChIKey of 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol?
The InChIKey is XNDRSKZMCBFBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSSi/c1-7-19(8-2,9-3)11-18-15-10-12(4)16(17)14(6)13(15)5/h10,17H,7-9,11H2,1-6H3.
What are the key properties of 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol?
2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol has a molecular weight of 296.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-4-(triethylsilylmethylsulfanyl)phenol is sourced from PubChem (CID 19971999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).