tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane

C56H70O2SSi2 — CID 174469679

IUPACtert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane
SMILESC[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1ccc(Sc2ccc(C[C@H](C)CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)cc1
InChIInChI=1S/C56H70O2SSi2/c1-45(23-21-41-57-60(55(3,4)5,51-25-13-9-14-26-51)52-27-15-10-16-28-52)43-47-33-37-49(38-34-47)59-50-39-35-48(36-40-50)44-46(2)24-22-42-58-61(56(6,7)8,53-29-17-11-18-30-53)54-31-19-12-20-32-54/h9-20,25-40,45-46H,21-24,41-44H2,1-8H3/t45-,46-/m1/s1
InChIKeyMPVJLKXRBDDFHM-AWSIMMLFSA-N
MW863.41 g/mol
LogP12.91
Rot. Bonds20

About tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane

tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane (PubChem CID 174469679) has the molecular formula C56H70O2SSi2 and a molecular weight of 863.41 g/mol. Its IUPAC name is tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane
PubChem CID174469679
Molecular FormulaC56H70O2SSi2
Molecular Weight863.41 g/mol
Exact Mass862.46
IUPAC Nametert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane
SMILESC[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1ccc(Sc2ccc(C[C@H](C)CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)cc1
InChIInChI=1S/C56H70O2SSi2/c1-45(23-21-41-57-60(55(3,4)5,51-25-13-9-14-26-51)52-27-15-10-16-28-52)43-47-33-37-49(38-34-47)59-50-39-35-48(36-40-50)44-46(2)24-22-42-58-61(56(6,7)8,53-29-17-11-18-30-53)54-31-19-12-20-32-54/h9-20,25-40,45-46H,21-24,41-44H2,1-8H3/t45-,46-/m1/s1
InChIKeyMPVJLKXRBDDFHM-AWSIMMLFSA-N
XLogP12.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.41
LogP ≤ 512.91
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane (CID 174469679) is tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane is C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1ccc(Sc2ccc(C[C@H](C)CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane?
The InChIKey is MPVJLKXRBDDFHM-AWSIMMLFSA-N. The full InChI is InChI=1S/C56H70O2SSi2/c1-45(23-21-41-57-60(55(3,4)5,51-25-13-9-14-26-51)52-27-15-10-16-28-52)43-47-33-37-49(38-34-47)59-50-39-35-48(36-40-50)44-46(2)24-22-42-58-61(56(6,7)8,53-29-17-11-18-30-53)54-31-19-12-20-32-54/h9-20,25-40,45-46H,21-24,41-44H2,1-8H3/t45-,46-/m1/s1.
What are the key properties of tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane?
tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane has a molecular weight of 863.41 g/mol, XLogP of 12.91, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R)-5-[4-[4-[(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentyl]phenyl]sulfanylphenyl]-4-methylpentoxy]-diphenylsilane is sourced from PubChem (CID 174469679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).