trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate

C18H44N2O4S2Si4 — CID 530163

IUPACtrimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate
SMILESC[Si](C)(C)NC(CSSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H44N2O4S2Si4/c1-27(2,3)19-15(17(21)23-29(7,8)9)13-25-26-14-16(20-28(4,5)6)18(22)24-30(10,11)12/h15-16,19-20H,13-14H2,1-12H3
InChIKeyQLOSYBGVFCKXGZ-UHFFFAOYSA-N
MW529.04 g/mol
LogP4.71
Rot. Bonds13

About trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate

trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate (PubChem CID 530163) has the molecular formula C18H44N2O4S2Si4 and a molecular weight of 529.04 g/mol. Its IUPAC name is trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate
PubChem CID530163
Molecular FormulaC18H44N2O4S2Si4
Molecular Weight529.04 g/mol
Exact Mass528.18
IUPAC Nametrimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate
SMILESC[Si](C)(C)NC(CSSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H44N2O4S2Si4/c1-27(2,3)19-15(17(21)23-29(7,8)9)13-25-26-14-16(20-28(4,5)6)18(22)24-30(10,11)12/h15-16,19-20H,13-14H2,1-12H3
InChIKeyQLOSYBGVFCKXGZ-UHFFFAOYSA-N
XLogP4.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.04
LogP ≤ 54.71
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate?
The IUPAC name of trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate (CID 530163) is trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate.
What is the SMILES notation for trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate?
The canonical SMILES for trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate is C[Si](C)(C)NC(CSSCC(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 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate?
The InChIKey is QLOSYBGVFCKXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44N2O4S2Si4/c1-27(2,3)19-15(17(21)23-29(7,8)9)13-25-26-14-16(20-28(4,5)6)18(22)24-30(10,11)12/h15-16,19-20H,13-14H2,1-12H3.
What are the key properties of trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate?
trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate has a molecular weight of 529.04 g/mol, XLogP of 4.71, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]disulfanyl]-2-(trimethylsilylamino)propanoate is sourced from PubChem (CID 530163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).