bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate

C16H36O5Si3 — CID 553131

IUPACbis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate
SMILESCCC(CC(=O)O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-11-16(21-24(8,9)10,12-14(17)19-22(2,3)4)13-15(18)20-23(5,6)7/h11-13H2,1-10H3
InChIKeyZWVJDPZZQHIKAN-UHFFFAOYSA-N
MW392.72 g/mol
LogP4.52
Rot. Bonds9

About bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate

bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate (PubChem CID 553131) has the molecular formula C16H36O5Si3 and a molecular weight of 392.72 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate
PubChem CID553131
Molecular FormulaC16H36O5Si3
Molecular Weight392.72 g/mol
Exact Mass392.19
IUPAC Namebis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate
SMILESCCC(CC(=O)O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-11-16(21-24(8,9)10,12-14(17)19-22(2,3)4)13-15(18)20-23(5,6)7/h11-13H2,1-10H3
InChIKeyZWVJDPZZQHIKAN-UHFFFAOYSA-N
XLogP4.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
Pentanedioic acid, 3-methyl-3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521668
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
3-Hydroxy-3-methylglutarate, TBDMS
CID 552407
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
Mevalonic acid, triTBDMS
CID 553829
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
CID 10787430
3-Hydroxyglutaric acid, triTBDMS
CID 6430555
Mevalonic acid, TMS
CID 91748333
3-Hydroxy-3-methylglutaric acid, TMS # 1
CID 91749589
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate?
The IUPAC name of bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate (CID 553131) is bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate is CCC(CC(=O)O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate?
The InChIKey is ZWVJDPZZQHIKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O5Si3/c1-11-16(21-24(8,9)10,12-14(17)19-22(2,3)4)13-15(18)20-23(5,6)7/h11-13H2,1-10H3.
What are the key properties of bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate?
bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate has a molecular weight of 392.72 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-ethyl-3-trimethylsilyloxypentanedioate is sourced from PubChem (CID 553131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).