2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate

C9H22O4SSi — CID 22995048

IUPAC2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCCOS(C)(=O)=O
InChIInChI=1S/C9H22O4SSi/c1-9(2,3)15(5,6)13-8-7-12-14(4,10)11/h7-8H2,1-6H3
InChIKeyYAFGDVANXQDQNE-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.98
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate

2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate (PubChem CID 22995048) has the molecular formula C9H22O4SSi and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
PubChem CID22995048
Molecular FormulaC9H22O4SSi
Molecular Weight254.42 g/mol
Exact Mass254.10
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCCOS(C)(=O)=O
InChIInChI=1S/C9H22O4SSi/c1-9(2,3)15(5,6)13-8-7-12-14(4,10)11/h7-8H2,1-6H3
InChIKeyYAFGDVANXQDQNE-UHFFFAOYSA-N
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
CID 57027171
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
CID 175551678
3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
CID 54173947
[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl] methanesulfonate
CID 59026654
[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate
CID 10063178
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
4-[tert-butyl(dimethyl)silyl]oxypentyl methanesulfonate
CID 91548982
5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl methanesulfonate
CID 87745288
3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
CID 153437849
[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate
CID 151398547
2-[(2-methylpropan-2-yl)oxy]ethyl methanesulfonate
CID 18464924
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate (CID 22995048) is 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate is CC(C)(C)[Si](C)(C)OCCOS(C)(=O)=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate?
The InChIKey is YAFGDVANXQDQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4SSi/c1-9(2,3)15(5,6)13-8-7-12-14(4,10)11/h7-8H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate?
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate has a molecular weight of 254.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate is sourced from PubChem (CID 22995048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).