2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol

C10H24O2SSi — CID 155648155

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol
SMILES[2H]C([2H])(O)CSCC([2H])([2H])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O2SSi/c1-10(2,3)14(4,5)12-7-9-13-8-6-11/h11H,6-9H2,1-5H3/i6D2,7D2
InChIKeyYQHRUVWCWRUZSV-KXGHAPEVSA-N
MW240.48 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol

2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol (PubChem CID 155648155) has the molecular formula C10H24O2SSi and a molecular weight of 240.48 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol
PubChem CID155648155
Molecular FormulaC10H24O2SSi
Molecular Weight240.48 g/mol
Exact Mass240.15
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol
SMILES[2H]C([2H])(O)CSCC([2H])([2H])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O2SSi/c1-10(2,3)14(4,5)12-7-9-13-8-6-11/h11H,6-9H2,1-5H3/i6D2,7D2
InChIKeyYQHRUVWCWRUZSV-KXGHAPEVSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol (CID 155648155) is 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol is [2H]C([2H])(O)CSCC([2H])([2H])O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol?
The InChIKey is YQHRUVWCWRUZSV-KXGHAPEVSA-N. The full InChI is InChI=1S/C10H24O2SSi/c1-10(2,3)14(4,5)12-7-9-13-8-6-11/h11H,6-9H2,1-5H3/i6D2,7D2.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol?
2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol has a molecular weight of 240.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxy-2,2-dideuterioethyl]sulfanyl-1,1-dideuterioethanol is sourced from PubChem (CID 155648155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).