tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane

C12H28O3Si — CID 10444722

IUPACtert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane
SMILESCOC(OC)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-10(11(13-5)14-6)9-15-16(7,8)12(2,3)4/h10-11H,9H2,1-8H3/t10-/m0/s1
InChIKeySXEJYOSLDIHNOK-JTQLQIEISA-N
MW248.44 g/mol
LogP3.26
Rot. Bonds6

About tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane

tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane (PubChem CID 10444722) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane
PubChem CID10444722
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Nametert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane
SMILESCOC(OC)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-10(11(13-5)14-6)9-15-16(7,8)12(2,3)4/h10-11H,9H2,1-8H3/t10-/m0/s1
InChIKeySXEJYOSLDIHNOK-JTQLQIEISA-N
XLogP3.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.26
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 tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane (CID 10444722) is tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane is COC(OC)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane?
The InChIKey is SXEJYOSLDIHNOK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H28O3Si/c1-10(11(13-5)14-6)9-15-16(7,8)12(2,3)4/h10-11H,9H2,1-8H3/t10-/m0/s1.
What are the key properties of tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane?
tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane has a molecular weight of 248.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-3,3-dimethoxy-2-methylpropoxy]-dimethylsilane is sourced from PubChem (CID 10444722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).