tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane

C40H60O5Si2 — CID 101463337

IUPACtert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane
SMILESC[C@@H]1CC2(C=C(COCC#CCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@]1(C)CO[Si](C)(C)C(C)(C)C)OCCO2
InChIInChI=1S/C40H60O5Si2/c1-33-29-40(42-27-28-43-40)30-34(39(33,8)32-45-46(9,10)37(2,3)4)31-41-25-19-11-12-20-26-44-47(38(5,6)7,35-21-15-13-16-22-35)36-23-17-14-18-24-36/h13-18,21-24,30,33H,12,20,25-29,31-32H2,1-10H3/t33-,39+/m1/s1
InChIKeyDEFWWWKPAATLDG-GDYKHXCGSA-N
MW677.09 g/mol
LogP8.10
Rot. Bonds12

About tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane

tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane (PubChem CID 101463337) has the molecular formula C40H60O5Si2 and a molecular weight of 677.09 g/mol. Its IUPAC name is tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane
PubChem CID101463337
Molecular FormulaC40H60O5Si2
Molecular Weight677.09 g/mol
Exact Mass676.40
IUPAC Nametert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane
SMILESC[C@@H]1CC2(C=C(COCC#CCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@]1(C)CO[Si](C)(C)C(C)(C)C)OCCO2
InChIInChI=1S/C40H60O5Si2/c1-33-29-40(42-27-28-43-40)30-34(39(33,8)32-45-46(9,10)37(2,3)4)31-41-25-19-11-12-20-26-44-47(38(5,6)7,35-21-15-13-16-22-35)36-23-17-14-18-24-36/h13-18,21-24,30,33H,12,20,25-29,31-32H2,1-10H3/t33-,39+/m1/s1
InChIKeyDEFWWWKPAATLDG-GDYKHXCGSA-N
XLogP8.10
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.09
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
CID 10412453
(1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol
CID 102271694
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
CID 11155554
tert-butyl-dimethyl-(9-phenylsulfanylnon-5-ynoxy)silane
CID 134977248
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane
CID 11825519
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane (CID 101463337) is tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane is C[C@@H]1CC2(C=C(COCC#CCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@]1(C)CO[Si](C)(C)C(C)(C)C)OCCO2.
What is the InChIKey of tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane?
The InChIKey is DEFWWWKPAATLDG-GDYKHXCGSA-N. The full InChI is InChI=1S/C40H60O5Si2/c1-33-29-40(42-27-28-43-40)30-34(39(33,8)32-45-46(9,10)37(2,3)4)31-41-25-19-11-12-20-26-44-47(38(5,6)7,35-21-15-13-16-22-35)36-23-17-14-18-24-36/h13-18,21-24,30,33H,12,20,25-29,31-32H2,1-10H3/t33-,39+/m1/s1.
What are the key properties of tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane?
tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane has a molecular weight of 677.09 g/mol, XLogP of 8.10, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane is sourced from PubChem (CID 101463337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).