bis(trimethylsilyl) 2-acetamidopentanedioate

C13H27NO5Si2 — CID 554446

IUPACbis(trimethylsilyl) 2-acetamidopentanedioate
SMILESCC(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H27NO5Si2/c1-10(15)14-11(13(17)19-21(5,6)7)8-9-12(16)18-20(2,3)4/h11H,8-9H2,1-7H3,(H,14,15)
InChIKeyQJVUCICTKBBIKY-UHFFFAOYSA-N
MW333.53 g/mol
LogP2.03
Rot. Bonds7

About bis(trimethylsilyl) 2-acetamidopentanedioate

bis(trimethylsilyl) 2-acetamidopentanedioate (PubChem CID 554446) has the molecular formula C13H27NO5Si2 and a molecular weight of 333.53 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-acetamidopentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-acetamidopentanedioate
PubChem CID554446
Molecular FormulaC13H27NO5Si2
Molecular Weight333.53 g/mol
Exact Mass333.14
IUPAC Namebis(trimethylsilyl) 2-acetamidopentanedioate
SMILESCC(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H27NO5Si2/c1-10(15)14-11(13(17)19-21(5,6)7)8-9-12(16)18-20(2,3)4/h11H,8-9H2,1-7H3,(H,14,15)
InChIKeyQJVUCICTKBBIKY-UHFFFAOYSA-N
XLogP2.03
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
trimethylsilyl 2-acetamido-3-(1-trimethylsilylimidazol-4-yl)propanoate
CID 530214
triethylsilyl 2-acetamido-4-chlorobutanoate
CID 154642640
CID 102601830
CID 102601830
propan-2-yl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 87112681
(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 11129133
dimethyl 2-(4-oxopentanoylamino)pentanedioate
CID 54470181
dimethyl 2-acetamidononanedioate
CID 71387450
(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 71358024
trimethylsilyl 4-[[4-oxo-3-(trimethylsilylamino)-4-trimethylsilyloxybutyl]disulfanyl]-2-(trimethylsilylamino)butanoate
CID 552899

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-acetamidopentanedioate?
The IUPAC name of bis(trimethylsilyl) 2-acetamidopentanedioate (CID 554446) is bis(trimethylsilyl) 2-acetamidopentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-acetamidopentanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-acetamidopentanedioate is CC(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-acetamidopentanedioate?
The InChIKey is QJVUCICTKBBIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5Si2/c1-10(15)14-11(13(17)19-21(5,6)7)8-9-12(16)18-20(2,3)4/h11H,8-9H2,1-7H3,(H,14,15).
What are the key properties of bis(trimethylsilyl) 2-acetamidopentanedioate?
bis(trimethylsilyl) 2-acetamidopentanedioate has a molecular weight of 333.53 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-acetamidopentanedioate is sourced from PubChem (CID 554446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).