tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane

C49H70O4Si3 — CID 11457085

IUPACtert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane
SMILESC=CC(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)O[C@@H]([C@H](C)C=C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C49H70O4Si3/c1-13-40(3)47(41(4)39-51-56(49(8,9)10,45-34-23-17-24-35-45)46-36-25-18-26-37-46)53-54(11,12)52-42(14-2)29-27-28-38-50-55(48(5,6)7,43-30-19-15-20-31-43)44-32-21-16-22-33-44/h13-26,30-37,40-42,47H,1-2,27-29,38-39H2,3-12H3/t40-,41+,42?,47+/m1/s1
InChIKeySXBBTTVXDDXGKU-YOLSILBLSA-N
MW807.35 g/mol
LogP10.43
Rot. Bonds21

About tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane

tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane (PubChem CID 11457085) has the molecular formula C49H70O4Si3 and a molecular weight of 807.35 g/mol. Its IUPAC name is tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane
PubChem CID11457085
Molecular FormulaC49H70O4Si3
Molecular Weight807.35 g/mol
Exact Mass806.46
IUPAC Nametert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane
SMILESC=CC(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)O[C@@H]([C@H](C)C=C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C49H70O4Si3/c1-13-40(3)47(41(4)39-51-56(49(8,9)10,45-34-23-17-24-35-45)46-36-25-18-26-37-46)53-54(11,12)52-42(14-2)29-27-28-38-50-55(48(5,6)7,43-30-19-15-20-31-43)44-32-21-16-22-33-44/h13-26,30-37,40-42,47H,1-2,27-29,38-39H2,3-12H3/t40-,41+,42?,47+/m1/s1
InChIKeySXBBTTVXDDXGKU-YOLSILBLSA-N
XLogP10.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.35
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
(3R,4R,5S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyloct-1-en-4-ol
CID 101106261
tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane
CID 11735422
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane
CID 24938591
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane (CID 11457085) is tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane is C=CC(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)O[C@@H]([C@H](C)C=C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane?
The InChIKey is SXBBTTVXDDXGKU-YOLSILBLSA-N. The full InChI is InChI=1S/C49H70O4Si3/c1-13-40(3)47(41(4)39-51-56(49(8,9)10,45-34-23-17-24-35-45)46-36-25-18-26-37-46)53-54(11,12)52-42(14-2)29-27-28-38-50-55(48(5,6)7,43-30-19-15-20-31-43)44-32-21-16-22-33-44/h13-26,30-37,40-42,47H,1-2,27-29,38-39H2,3-12H3/t40-,41+,42?,47+/m1/s1.
What are the key properties of tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane?
tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane has a molecular weight of 807.35 g/mol, XLogP of 10.43, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane is sourced from PubChem (CID 11457085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).