tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol

C18H39IO2Si2 — CID 88698590

IUPACtert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.OCC=C=CCCI
InChIInChI=1S/C12H30OSi2.C6H9IO/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;7-5-3-1-2-4-6-8/h1-10H3;1,4,8H,3,5-6H2
InChIKeyYXJPAWRHKUOBBG-UHFFFAOYSA-N
MW470.58 g/mol
LogP6.53
Rot. Bonds5

About tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol

tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol (PubChem CID 88698590) has the molecular formula C18H39IO2Si2 and a molecular weight of 470.58 g/mol. Its IUPAC name is tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol.

Molecular Properties

Compound Nametert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol
PubChem CID88698590
Molecular FormulaC18H39IO2Si2
Molecular Weight470.58 g/mol
Exact Mass470.15
IUPAC Nametert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.OCC=C=CCCI
InChIInChI=1S/C12H30OSi2.C6H9IO/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;7-5-3-1-2-4-6-8/h1-10H3;1,4,8H,3,5-6H2
InChIKeyYXJPAWRHKUOBBG-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 56.53
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

7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol
CID 88697890
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
CID 86745388
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol
CID 174377351
tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane
CID 23253894
tert-butyl-dimethyl-(5-trimethylsilylpenta-3,4-dienoxy)silane
CID 15363417
octadeca-2,3-dien-1-ol
CID 138969077
tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 87999521
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71340946
3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol
CID 71777166
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol?
The IUPAC name of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol (CID 88698590) is tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol.
What is the SMILES notation for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol?
The canonical SMILES for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol is CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.OCC=C=CCCI.
What is the InChIKey of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol?
The InChIKey is YXJPAWRHKUOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30OSi2.C6H9IO/c1-11(2,3)14(7,8)13-15(9,10)12(4,5)6;7-5-3-1-2-4-6-8/h1-10H3;1,4,8H,3,5-6H2.
What are the key properties of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol?
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol has a molecular weight of 470.58 g/mol, XLogP of 6.53, 5 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;6-iodohexa-2,3-dien-1-ol is sourced from PubChem (CID 88698590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).