tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane

C15H33IOSi — CID 71713685

IUPACtert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](C)C[C@H](C)I
InChIInChI=1S/C15H33IOSi/c1-12(10-14(3)16)9-13(2)11-17-18(7,8)15(4,5)6/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m1/s1
InChIKeyFCCOXVVTHYROJT-RDBSUJKOSA-N
MW384.42 g/mol
LogP5.88
Rot. Bonds7

About tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane

tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane (PubChem CID 71713685) has the molecular formula C15H33IOSi and a molecular weight of 384.42 g/mol. Its IUPAC name is tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
PubChem CID71713685
Molecular FormulaC15H33IOSi
Molecular Weight384.42 g/mol
Exact Mass384.13
IUPAC Nametert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](C)C[C@H](C)I
InChIInChI=1S/C15H33IOSi/c1-12(10-14(3)16)9-13(2)11-17-18(7,8)15(4,5)6/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m1/s1
InChIKeyFCCOXVVTHYROJT-RDBSUJKOSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.42
LogP ≤ 55.88
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-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
CID 54768092
tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane
CID 164887760
tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane
CID 177309340
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
CID 175551678
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane (CID 71713685) is tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane is C[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](C)C[C@H](C)I.
What is the InChIKey of tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane?
The InChIKey is FCCOXVVTHYROJT-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H33IOSi/c1-12(10-14(3)16)9-13(2)11-17-18(7,8)15(4,5)6/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m1/s1.
What are the key properties of tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane?
tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane has a molecular weight of 384.42 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane is sourced from PubChem (CID 71713685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).