tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane

C12H27IOSi — CID 177309340

IUPACtert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane
SMILESCC(C)C(CI)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27IOSi/c1-10(2)11(8-13)9-14-15(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyXIEQXVGTUYKSJE-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.72
Rot. Bonds5

About tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane

tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane (PubChem CID 177309340) has the molecular formula C12H27IOSi and a molecular weight of 342.34 g/mol. Its IUPAC name is tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane
PubChem CID177309340
Molecular FormulaC12H27IOSi
Molecular Weight342.34 g/mol
Exact Mass342.09
IUPAC Nametert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane
SMILESCC(C)C(CI)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27IOSi/c1-10(2)11(8-13)9-14-15(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyXIEQXVGTUYKSJE-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.72
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

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
CID 11043924
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine;hydrochloride
CID 50999200
tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
CID 71713685
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
tert-butyl-[(E)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 101405389
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane (CID 177309340) is tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane is CC(C)C(CI)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane?
The InChIKey is XIEQXVGTUYKSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27IOSi/c1-10(2)11(8-13)9-14-15(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3.
What are the key properties of tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane?
tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane has a molecular weight of 342.34 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane is sourced from PubChem (CID 177309340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).