[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury

C45H73ClHgO6Si2 — CID 138975878

IUPAC[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury
SMILESC[C@@H]1[C@@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@H]1C([Hg]Cl)[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C45H73O6Si2.ClH.Hg/c1-32(31-46-53(42(7,8)9,36-22-18-16-19-23-36)37-24-20-17-21-25-37)40-33(2)38(48-43(10,11)50-40)30-35-26-28-45(13,47-35)39-27-29-44(12,49-39)34(3)51-52(14,15)41(4,5)6;;/h16-25,30,32-35,38-40H,26-29,31H2,1-15H3;1H;/q;;+1/p-1/t32-,33+,34-,35+,38+,39-,40-,44+,45+;;/m1../s1
InChIKeyRHKXOLSUNSZGST-PHDYIDQNSA-M
MW1002.29 g/mol
LogP10.67
Rot. Bonds13

About [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury

[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury (PubChem CID 138975878) has the molecular formula C45H73ClHgO6Si2 and a molecular weight of 1002.29 g/mol. Its IUPAC name is [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury.

Molecular Properties

Compound Name[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury
PubChem CID138975878
Molecular FormulaC45H73ClHgO6Si2
Molecular Weight1002.29 g/mol
Exact Mass1002.43
IUPAC Name[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury
SMILESC[C@@H]1[C@@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@H]1C([Hg]Cl)[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C45H73O6Si2.ClH.Hg/c1-32(31-46-53(42(7,8)9,36-22-18-16-19-23-36)37-24-20-17-21-25-37)40-33(2)38(48-43(10,11)50-40)30-35-26-28-45(13,47-35)39-27-29-44(12,49-39)34(3)51-52(14,15)41(4,5)6;;/h16-25,30,32-35,38-40H,26-29,31H2,1-15H3;1H;/q;;+1/p-1/t32-,33+,34-,35+,38+,39-,40-,44+,45+;;/m1../s1
InChIKeyRHKXOLSUNSZGST-PHDYIDQNSA-M
XLogP10.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.29
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
tert-butyl-[(2R,3R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl]oxy-diphenylsilane
CID 10816744
(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
CID 10874560
tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane
CID 15953295
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
(5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
CID 53360794
CID 101262502
CID 101262502
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propoxy]-diphenylsilane
CID 102202168
tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane
CID 134866514
[(1S,3R,7S,8S,8aR)-8-[2-[(4S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy-triethylsilane
CID 134905291
[(1S,7S,8S,8aR)-8-[2-[(4S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy-triethylsilane
CID 134905292

Frequently Asked Questions

What is the IUPAC name of [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury?
The IUPAC name of [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury (CID 138975878) is [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury.
What is the SMILES notation for [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury?
The canonical SMILES for [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury is C[C@@H]1[C@@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@H]1C([Hg]Cl)[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury?
The InChIKey is RHKXOLSUNSZGST-PHDYIDQNSA-M. The full InChI is InChI=1S/C45H73O6Si2.ClH.Hg/c1-32(31-46-53(42(7,8)9,36-22-18-16-19-23-36)37-24-20-17-21-25-37)40-33(2)38(48-43(10,11)50-40)30-35-26-28-45(13,47-35)39-27-29-44(12,49-39)34(3)51-52(14,15)41(4,5)6;;/h16-25,30,32-35,38-40H,26-29,31H2,1-15H3;1H;/q;;+1/p-1/t32-,33+,34-,35+,38+,39-,40-,44+,45+;;/m1../s1.
What are the key properties of [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury?
[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury has a molecular weight of 1002.29 g/mol, XLogP of 10.67, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-chloromercury is sourced from PubChem (CID 138975878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).