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

C10H23IOSi — CID 11023430

IUPACtert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane
SMILESC[C@H](CI)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H23IOSi/c1-9(7-11)8-12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyURLWDCDRHNATBW-SECBINFHSA-N
MW314.28 g/mol
LogP4.08
Rot. Bonds4

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

tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane (PubChem CID 11023430) has the molecular formula C10H23IOSi and a molecular weight of 314.28 g/mol. Its IUPAC name is tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane
PubChem CID11023430
Molecular FormulaC10H23IOSi
Molecular Weight314.28 g/mol
Exact Mass314.06
IUPAC Nametert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane
SMILESC[C@H](CI)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H23IOSi/c1-9(7-11)8-12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyURLWDCDRHNATBW-SECBINFHSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane (CID 11023430) is tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane is C[C@H](CI)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane?
The InChIKey is URLWDCDRHNATBW-SECBINFHSA-N. The full InChI is InChI=1S/C10H23IOSi/c1-9(7-11)8-12-13(5,6)10(2,3)4/h9H,7-8H2,1-6H3/t9-/m1/s1.
What are the key properties of tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane?
tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane has a molecular weight of 314.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-3-iodo-2-methylpropoxy]-dimethylsilane is sourced from PubChem (CID 11023430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).