tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane

C11H25IOSi — CID 154722716

IUPACtert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane
SMILESC[C@@H](I)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25IOSi/c1-9(10(2)12)8-13-14(6,7)11(3,4)5/h9-10H,8H2,1-7H3/t9-,10+/m0/s1
InChIKeyQFUBOTITKHCBPD-VHSXEESVSA-N
MW328.31 g/mol
LogP4.47
Rot. Bonds4

About tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane

tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane (PubChem CID 154722716) has the molecular formula C11H25IOSi and a molecular weight of 328.31 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane
PubChem CID154722716
Molecular FormulaC11H25IOSi
Molecular Weight328.31 g/mol
Exact Mass328.07
IUPAC Nametert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane
SMILESC[C@@H](I)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25IOSi/c1-9(10(2)12)8-13-14(6,7)11(3,4)5/h9-10H,8H2,1-7H3/t9-,10+/m0/s1
InChIKeyQFUBOTITKHCBPD-VHSXEESVSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 54.47
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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Related Compounds

tert-Butyl(4-iodobutoxy)dimethylsilane
CID 4250746
tert-Butyl(2-iodoethoxy)dimethylsilane
CID 11129873
Silane, (isopentyloxy)trimethyl-
CID 519534
Tert-butyl-(3-iodopropoxy)-dimethylsilane
CID 11022956
Silane, trimethyl(2-methylbutoxy)-
CID 554470
3-Methyl-1-butanol, tert-butyldimethylsilyl ether
CID 15818300
tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane
CID 11473751
Silane, triethyl(1-iodo-2-methylpropoxy)-
CID 10903111
(1,1-Dimethylethyl)((2R)-3-iodo-2-methylpropoxy)dimethylsilane
CID 11023429
(s)-3-t-Butyldimethylsilyloxy-2-methylpropyl iodide
CID 11023430
Triethyl(1-iodopropoxy)silane
CID 11109363
(2-Iodoethoxy)triisopropylsilane
CID 11450272

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane (CID 154722716) is tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane is C[C@@H](I)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane?
The InChIKey is QFUBOTITKHCBPD-VHSXEESVSA-N. The full InChI is InChI=1S/C11H25IOSi/c1-9(10(2)12)8-13-14(6,7)11(3,4)5/h9-10H,8H2,1-7H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane?
tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane has a molecular weight of 328.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-3-iodo-2-methylbutoxy]-dimethylsilane is sourced from PubChem (CID 154722716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).