trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate

C20H48N2O4S2Si4 — CID 552899

IUPACtrimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate
SMILESC[Si](C)(C)NC(CCSSCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C20H48N2O4S2Si4/c1-29(2,3)21-17(19(23)25-31(7,8)9)13-15-27-28-16-14-18(22-30(4,5)6)20(24)26-32(10,11)12/h17-18,21-22H,13-16H2,1-12H3
InChIKeyVVODJOVRLCDBOE-UHFFFAOYSA-N
MW557.09 g/mol
LogP5.49
Rot. Bonds15

About trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate

trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate (PubChem CID 552899) has the molecular formula C20H48N2O4S2Si4 and a molecular weight of 557.09 g/mol. Its IUPAC name is trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate
PubChem CID552899
Molecular FormulaC20H48N2O4S2Si4
Molecular Weight557.09 g/mol
Exact Mass556.21
IUPAC Nametrimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate
SMILESC[Si](C)(C)NC(CCSSCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C20H48N2O4S2Si4/c1-29(2,3)21-17(19(23)25-31(7,8)9)13-15-27-28-16-14-18(22-30(4,5)6)20(24)26-32(10,11)12/h17-18,21-22H,13-16H2,1-12H3
InChIKeyVVODJOVRLCDBOE-UHFFFAOYSA-N
XLogP5.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.09
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate with MolForge

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Related Compounds

trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate
CID 530161
4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutane-1-sulfonic acid;triethylazanium
CID 131714071
trimethylsilyl 2-(trimethylsilylamino)-5-[trimethylsilyl(trimethylsilylcarbamoyl)amino]pentanoate
CID 91696357
trimethylsilyl 3-(1,3-benzodioxol-5-yl)-2-(trimethylsilylamino)propanoate
CID 612631
trimethylsilyl (2S)-2-aminopentanoate
CID 140849909
methyl 2-ethyl-4-(3-methoxycarbonylpentyldisulfanyl)butanoate
CID 141221239
bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
CID 523360
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 553576
tris(trimethylsilyl) propane-1,1,2-tricarboxylate
CID 553637
trimethylsilyl 2-amino-3,3-dimethylbutanoate
CID 90102815
[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate
CID 141025878
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate
CID 553587

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate?
The IUPAC name of trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate (CID 552899) is trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate.
What is the SMILES notation for trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate?
The canonical SMILES for trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate is C[Si](C)(C)NC(CCSSCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate?
The InChIKey is VVODJOVRLCDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48N2O4S2Si4/c1-29(2,3)21-17(19(23)25-31(7,8)9)13-15-27-28-16-14-18(22-30(4,5)6)20(24)26-32(10,11)12/h17-18,21-22H,13-16H2,1-12H3.
What are the key properties of trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate?
trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate has a molecular weight of 557.09 g/mol, XLogP of 5.49, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate is sourced from PubChem (CID 552899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).