trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate

C19H43NO5Si3 — CID 91696503

IUPACtrimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate
SMILESCC(C)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)NCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C19H43NO5Si3/c1-19(2,15-23-26(3,4)5)17(25-28(9,10)11)18(22)20-14-12-13-16(21)24-27(6,7)8/h17H,12-15H2,1-11H3,(H,20,22)
InChIKeyYZQWRGLTYHDPRQ-UHFFFAOYSA-N
MW449.81 g/mol
LogP4.36
Rot. Bonds12

About trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate

trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate (PubChem CID 91696503) has the molecular formula C19H43NO5Si3 and a molecular weight of 449.81 g/mol. Its IUPAC name is trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate
PubChem CID91696503
Molecular FormulaC19H43NO5Si3
Molecular Weight449.81 g/mol
Exact Mass449.24
IUPAC Nametrimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate
SMILESCC(C)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)NCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C19H43NO5Si3/c1-19(2,15-23-26(3,4)5)17(25-28(9,10)11)18(22)20-14-12-13-16(21)24-27(6,7)8/h17H,12-15H2,1-11H3,(H,20,22)
InChIKeyYZQWRGLTYHDPRQ-UHFFFAOYSA-N
XLogP4.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate?
The IUPAC name of trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate (CID 91696503) is trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate.
What is the SMILES notation for trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate?
The canonical SMILES for trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate is CC(C)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)NCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate?
The InChIKey is YZQWRGLTYHDPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5Si3/c1-19(2,15-23-26(3,4)5)17(25-28(9,10)11)18(22)20-14-12-13-16(21)24-27(6,7)8/h17H,12-15H2,1-11H3,(H,20,22).
What are the key properties of trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate?
trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate has a molecular weight of 449.81 g/mol, XLogP of 4.36, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-[[3,3-dimethyl-2,4-bis(trimethylsilyloxy)butanoyl]amino]butanoate is sourced from PubChem (CID 91696503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).