tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane

C26H40O3Si — CID 102173957

IUPACtert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane
SMILESCOCOC(C)(C)CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O3Si/c1-25(2,3)30(23-16-10-7-11-17-23,24-18-12-8-13-19-24)29-21-15-9-14-20-26(4,5)28-22-27-6/h7-8,10-13,16-19H,9,14-15,20-22H2,1-6H3
InChIKeyITUVOAVJXHYGLL-UHFFFAOYSA-N
MW428.69 g/mol
LogP5.52
Rot. Bonds12

About tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane

tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane (PubChem CID 102173957) has the molecular formula C26H40O3Si and a molecular weight of 428.69 g/mol. Its IUPAC name is tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane
PubChem CID102173957
Molecular FormulaC26H40O3Si
Molecular Weight428.69 g/mol
Exact Mass428.27
IUPAC Nametert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane
SMILESCOCOC(C)(C)CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O3Si/c1-25(2,3)30(23-16-10-7-11-17-23,24-18-12-8-13-19-24)29-21-15-9-14-20-26(4,5)28-22-27-6/h7-8,10-13,16-19H,9,14-15,20-22H2,1-6H3
InChIKeyITUVOAVJXHYGLL-UHFFFAOYSA-N
XLogP5.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
[5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentan-2-yl]oxy-diphenylphosphane
CID 11953688
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane (CID 102173957) is tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane is COCOC(C)(C)CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane?
The InChIKey is ITUVOAVJXHYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O3Si/c1-25(2,3)30(23-16-10-7-11-17-23,24-18-12-8-13-19-24)29-21-15-9-14-20-26(4,5)28-22-27-6/h7-8,10-13,16-19H,9,14-15,20-22H2,1-6H3.
What are the key properties of tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane?
tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane has a molecular weight of 428.69 g/mol, XLogP of 5.52, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane is sourced from PubChem (CID 102173957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).