tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol

C16H39IO2Si2 — CID 174377351

IUPACtert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.CCC(C)(O)I
InChIInChI=1S/C12H30OSi2.C4H9IO/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;1-3-4(2,5)6/h1-10H3;6H,3H2,1-2H3
InChIKeyWHNZJJPHHZSNCO-UHFFFAOYSA-N
MW446.56 g/mol
LogP6.55
Rot. Bonds3

About tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol

tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol (PubChem CID 174377351) has the molecular formula C16H39IO2Si2 and a molecular weight of 446.56 g/mol. Its IUPAC name is tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol.

Molecular Properties

Compound Nametert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol
PubChem CID174377351
Molecular FormulaC16H39IO2Si2
Molecular Weight446.56 g/mol
Exact Mass446.15
IUPAC Nametert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.CCC(C)(O)I
InChIInChI=1S/C12H30OSi2.C4H9IO/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;1-3-4(2,5)6/h1-10H3;6H,3H2,1-2H3
InChIKeyWHNZJJPHHZSNCO-UHFFFAOYSA-N
XLogP6.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2S)-2-iodobutan-2-ol
CID 126611697
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
CID 86745388
1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
CID 142478700
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol
CID 88698590
1,1-diiodopropan-1-ol
CID 54306694
tert-butyl-[tert-butyl-(chloromethyl)-methylsilyl]oxy-dimethylsilane
CID 90417786
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
CID 91713351
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
CID 154722181
tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 173222661
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol
CID 11199521
1-[diethoxy(methyl)silyl]propane-1,1-diol
CID 142706911

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol?
The IUPAC name of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol (CID 174377351) is tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol.
What is the SMILES notation for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol?
The canonical SMILES for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol is CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.CCC(C)(O)I.
What is the InChIKey of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol?
The InChIKey is WHNZJJPHHZSNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30OSi2.C4H9IO/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;1-3-4(2,5)6/h1-10H3;6H,3H2,1-2H3.
What are the key properties of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol?
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol has a molecular weight of 446.56 g/mol, XLogP of 6.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol is sourced from PubChem (CID 174377351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).