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

C46H58O4SSi2 — CID 10395369

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol
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/C46H58O4SSi2/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/h8-29,32-33,38-39,47H,30-31,34-36H2,1-7H3/t39?,51-/m1/s1
InChIKeyQKOXGEUHPSWPRU-UMUQEVEKSA-N
MW763.21 g/mol
LogP8.01
Rot. Bonds16

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

6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol (PubChem CID 10395369) has the molecular formula C46H58O4SSi2 and a molecular weight of 763.21 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-ol.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol
PubChem CID10395369
Molecular FormulaC46H58O4SSi2
Molecular Weight763.21 g/mol
Exact Mass762.36
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol
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/C46H58O4SSi2/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/h8-29,32-33,38-39,47H,30-31,34-36H2,1-7H3/t39?,51-/m1/s1
InChIKeyQKOXGEUHPSWPRU-UMUQEVEKSA-N
XLogP8.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.21
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-7-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-5-methyl-8-trimethylsilyloctane-3,5-diol
CID 11767344
(3S,4R,8E,10E)-11-[(R)-(4-methylphenyl)sulfinyl]-3-triphenylsilylundeca-1,8,10-trien-4-ol
CID 134887408
(2S,3R,4R)-3-methyl-1-[(R)-(4-methylphenyl)sulfinyl]-6-phenylhexane-2,4-diol
CID 139091735
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
CID 139261170
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
6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one
CID 10462841
(E,3S)-2-(4-methylphenyl)sulfinyl-1-triphenylsilyloct-1-en-3-ol
CID 23245908
(2R,3S,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
CID 15384129
1-(4-Benzylphenyl)sulfanyl-1-[tert-butyl(diphenyl)silyl]butane-1,3-diol
CID 18985108
4-(4-Benzylphenyl)sulfanyl-1-[tert-butyl(diphenyl)silyl]butane-1,3-diol
CID 53830213
(2S)-7-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfanylheptan-2-ol
CID 10005889
[(3S)-6-[4-[tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-5-[(S)-(4-methylphenyl)sulfinyl]-3,4-dihydro-2H-pyran-3-yl]methanol
CID 10010705

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-ol?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol (CID 10395369) is 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol.
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-ol?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol 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-ol?
The InChIKey is QKOXGEUHPSWPRU-UMUQEVEKSA-N. The full InChI is InChI=1S/C46H58O4SSi2/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/h8-29,32-33,38-39,47H,30-31,34-36H2,1-7H3/t39?,51-/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-ol?
6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol has a molecular weight of 763.21 g/mol, XLogP of 8.01, 16 rotatable bonds, 1 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-ol is sourced from PubChem (CID 10395369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).