[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate

C11H26O4SSi — CID 175551678

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
SMILESCC(CO[Si](C)(C)C(C)(C)C)COS(C)(=O)=O
InChIInChI=1S/C11H26O4SSi/c1-10(8-14-16(5,12)13)9-15-17(6,7)11(2,3)4/h10H,8-9H2,1-7H3
InChIKeyCALFBUVPHQJFTD-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.62
Rot. Bonds6

About [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate

[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate (PubChem CID 175551678) has the molecular formula C11H26O4SSi and a molecular weight of 282.48 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
PubChem CID175551678
Molecular FormulaC11H26O4SSi
Molecular Weight282.48 g/mol
Exact Mass282.13
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
SMILESCC(CO[Si](C)(C)C(C)(C)C)COS(C)(=O)=O
InChIInChI=1S/C11H26O4SSi/c1-10(8-14-16(5,12)13)9-15-17(6,7)11(2,3)4/h10H,8-9H2,1-7H3
InChIKeyCALFBUVPHQJFTD-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate
CID 10063178
2-[tert-butyl(dimethyl)silyl]oxyethyl methanesulfonate
CID 22995048
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
[1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylsulfonyl]cyclopropyl]methyl methanesulfonate
CID 151398547
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
CID 57027171
[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-methylsulfonyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 174237468
[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-methylsulfonyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 73026809
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
CID 54173947
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate (CID 175551678) is [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate is CC(CO[Si](C)(C)C(C)(C)C)COS(C)(=O)=O.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate?
The InChIKey is CALFBUVPHQJFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O4SSi/c1-10(8-14-16(5,12)13)9-15-17(6,7)11(2,3)4/h10H,8-9H2,1-7H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate?
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate has a molecular weight of 282.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate is sourced from PubChem (CID 175551678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).