[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium

C23H53NO3SSi2 — CID 175296178

IUPAC[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium
SMILESCC(C)[C@@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C23H53NO3SSi2/c1-18(2)20(24-28(25)21(3,4)5)16-19(27-30(14,15)23(9,10)11)17-26-29(12,13)22(6,7)8/h18-20,24H,16-17H2,1-15H3/t19-,20-,28?/m1/s1
InChIKeyOHAFVLIGQAYOMA-OGGLPTEMSA-N
MW479.92 g/mol
LogP6.87
Rot. Bonds10

About [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium

[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium (PubChem CID 175296178) has the molecular formula C23H53NO3SSi2 and a molecular weight of 479.92 g/mol. Its IUPAC name is [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium.

Molecular Properties

Compound Name[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium
PubChem CID175296178
Molecular FormulaC23H53NO3SSi2
Molecular Weight479.92 g/mol
Exact Mass479.33
IUPAC Name[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium
SMILESCC(C)[C@@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C23H53NO3SSi2/c1-18(2)20(24-28(25)21(3,4)5)16-19(27-30(14,15)23(9,10)11)17-26-29(12,13)22(6,7)8/h18-20,24H,16-17H2,1-15H3/t19-,20-,28?/m1/s1
InChIKeyOHAFVLIGQAYOMA-OGGLPTEMSA-N
XLogP6.87
TPSA53.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.92
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium
CID 175168614
tert-butyl-[[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethyl]amino]-oxidosulfanium
CID 174146305
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
CID 11271407
2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium
CID 88611659
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium
CID 175130327
(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol
CID 101489055
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-4-(oxiran-2-yl)butan-2-yl]oxy-dimethylsilane
CID 87093292
tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane
CID 45101159
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134

Frequently Asked Questions

What is the IUPAC name of [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium?
The IUPAC name of [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium (CID 175296178) is [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium.
What is the SMILES notation for [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium?
The canonical SMILES for [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium is CC(C)[C@@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N[S+]([O-])C(C)(C)C.
What is the InChIKey of [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium?
The InChIKey is OHAFVLIGQAYOMA-OGGLPTEMSA-N. The full InChI is InChI=1S/C23H53NO3SSi2/c1-18(2)20(24-28(25)21(3,4)5)16-19(27-30(14,15)23(9,10)11)17-26-29(12,13)22(6,7)8/h18-20,24H,16-17H2,1-15H3/t19-,20-,28?/m1/s1.
What are the key properties of [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium?
[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium has a molecular weight of 479.92 g/mol, XLogP of 6.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium is sourced from PubChem (CID 175296178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).