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

C19H46N2O4S2Si4 — CID 530167

IUPACtrimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate
SMILESC[Si](C)(C)NC(CSCSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H46N2O4S2Si4/c1-28(2,3)20-16(18(22)24-30(7,8)9)13-26-15-27-14-17(21-29(4,5)6)19(23)25-31(10,11)12/h16-17,20-21H,13-15H2,1-12H3
InChIKeyCIPDTUSMYWZMOW-UHFFFAOYSA-N
MW543.07 g/mol
LogP4.75
Rot. Bonds14

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

trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate (PubChem CID 530167) has the molecular formula C19H46N2O4S2Si4 and a molecular weight of 543.07 g/mol. Its IUPAC name is trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate
PubChem CID530167
Molecular FormulaC19H46N2O4S2Si4
Molecular Weight543.07 g/mol
Exact Mass542.20
IUPAC Nametrimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate
SMILESC[Si](C)(C)NC(CSCSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H46N2O4S2Si4/c1-28(2,3)20-16(18(22)24-30(7,8)9)13-26-15-27-14-17(21-29(4,5)6)19(23)25-31(10,11)12/h16-17,20-21H,13-15H2,1-12H3
InChIKeyCIPDTUSMYWZMOW-UHFFFAOYSA-N
XLogP4.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.07
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate?
The IUPAC name of trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate (CID 530167) is trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate.
What is the SMILES notation for trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate?
The canonical SMILES for trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate is C[Si](C)(C)NC(CSCSCC(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]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate?
The InChIKey is CIPDTUSMYWZMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46N2O4S2Si4/c1-28(2,3)20-16(18(22)24-30(7,8)9)13-26-15-27-14-17(21-29(4,5)6)19(23)25-31(10,11)12/h16-17,20-21H,13-15H2,1-12H3.
What are the key properties of trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate?
trimethylsilyl 3-[[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate has a molecular weight of 543.07 g/mol, XLogP of 4.75, 14 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]sulfanylmethylsulfanyl]-2-(trimethylsilylamino)propanoate is sourced from PubChem (CID 530167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).