6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one

C46H56O4SSi2 — CID 10462841

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one
SMILESCc1ccc([S@](=O)CC(=O)CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C46H56O4SSi2/c1-37-28-32-40(33-29-37)51(48)36-39(47)31-30-38(34-49-52(45(2,3)4,41-20-12-8-13-21-41)42-22-14-9-15-23-42)35-50-53(46(5,6)7,43-24-16-10-17-25-43)44-26-18-11-19-27-44/h8-29,32-33,38H,30-31,34-36H2,1-7H3/t51-/m1/s1
InChIKeyYFLAXWRWAVTMJB-NLXJDERGSA-N
MW761.19 g/mol
LogP8.22
Rot. Bonds16

About 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one

6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one (PubChem CID 10462841) has the molecular formula C46H56O4SSi2 and a molecular weight of 761.19 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one
PubChem CID10462841
Molecular FormulaC46H56O4SSi2
Molecular Weight761.19 g/mol
Exact Mass760.34
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one
SMILESCc1ccc([S@](=O)CC(=O)CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C46H56O4SSi2/c1-37-28-32-40(33-29-37)51(48)36-39(47)31-30-38(34-49-52(45(2,3)4,41-20-12-8-13-21-41)42-22-14-9-15-23-42)35-50-53(46(5,6)7,43-24-16-10-17-25-43)44-26-18-11-19-27-44/h8-29,32-33,38H,30-31,34-36H2,1-7H3/t51-/m1/s1
InChIKeyYFLAXWRWAVTMJB-NLXJDERGSA-N
XLogP8.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.19
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[tert-butyl(diphenyl)silyl]oxy-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-2-(hydroxymethyl)-4-[(R)-(4-methylphenyl)sulfinyl]nonan-5-one
CID 10373357
7-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2,2-dimethyl-1,3-dioxan-5-yl)-2-[(R)-(4-methylphenyl)sulfinyl]heptan-3-one
CID 10033652
6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol
CID 10395369
7-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]heptan-2-one
CID 10413883
5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one
CID 71492716
5-[Tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpentan-2-one
CID 77992634
tert-butyl-[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-5-(4-methylphenyl)sulfinylpent-2-enoxy]-diphenylsilane
CID 101461759
tert-butyl-[(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-5-(4-methylphenyl)sulfinylpent-2-enoxy]-diphenylsilane
CID 101461760

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one (CID 10462841) is 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one is Cc1ccc([S@](=O)CC(=O)CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one?
The InChIKey is YFLAXWRWAVTMJB-NLXJDERGSA-N. The full InChI is InChI=1S/C46H56O4SSi2/c1-37-28-32-40(33-29-37)51(48)36-39(47)31-30-38(34-49-52(45(2,3)4,41-20-12-8-13-21-41)42-22-14-9-15-23-42)35-50-53(46(5,6)7,43-24-16-10-17-25-43)44-26-18-11-19-27-44/h8-29,32-33,38H,30-31,34-36H2,1-7H3/t51-/m1/s1.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one?
6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one has a molecular weight of 761.19 g/mol, XLogP of 8.22, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one is sourced from PubChem (CID 10462841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).