tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane

C12H27IOSi — CID 122231959

IUPACtert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane
SMILESC[C@H](I)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27IOSi/c1-10(13)8-9-11(2)14-15(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3/t10-,11+/m0/s1
InChIKeyZXUTWLMWESNKAD-WDEREUQCSA-N
MW342.34 g/mol
LogP5.00
Rot. Bonds5

About tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane (PubChem CID 122231959) has the molecular formula C12H27IOSi and a molecular weight of 342.34 g/mol. Its IUPAC name is tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane
PubChem CID122231959
Molecular FormulaC12H27IOSi
Molecular Weight342.34 g/mol
Exact Mass342.09
IUPAC Nametert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane
SMILESC[C@H](I)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27IOSi/c1-10(13)8-9-11(2)14-15(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3/t10-,11+/m0/s1
InChIKeyZXUTWLMWESNKAD-WDEREUQCSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.34
LogP ≤ 55.00
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

Silane, (1,1-dimethylethyl)dimethyl[(1-methylhexyl)oxy]-
CID 6430228
2-(tert-Butyldimethylsilyloxy)hexane
CID 6430230
tert-butyl-[(2R,4R)-4-iodopentan-2-yl]oxy-dimethylsilane
CID 101906519
tert-butyl ((S)-3-iodo-1-methylpropoxy)dimethylsilane
CID 10946949
(2-Iodocyclohexyl)oxy-trimethylsilane
CID 12624041
Silane, (1,1-dimethylethyl)[(6-iodohexyl)oxy]dimethyl-
CID 13972989
(1S,2S)-1-iodo-2-trimethylsiloxycyclopentane
CID 15372029
Tert-butyl-(4-iodopentan-2-yloxy)-dimethylsilane
CID 19904709
Tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane
CID 19904713
tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane
CID 139650853
Triethyl(hexan-2-yloxy)silane
CID 10608784
Silane, (1,1-dimethylethyl)(4-iodo-1-methylbutoxy)dimethyl-
CID 11023920

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane (CID 122231959) is tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane is C[C@H](I)CC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane?
The InChIKey is ZXUTWLMWESNKAD-WDEREUQCSA-N. The full InChI is InChI=1S/C12H27IOSi/c1-10(13)8-9-11(2)14-15(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane has a molecular weight of 342.34 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 122231959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).