bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate

C15H34O5Si3 — CID 528649

IUPACbis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate
SMILESC[Si](C)(C)OC(=O)CCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h13H,10-12H2,1-9H3
InChIKeySMEOAZFYCOIGCU-UHFFFAOYSA-N
MW378.69 g/mol
LogP4.13
Rot. Bonds9

About bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate

bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate (PubChem CID 528649) has the molecular formula C15H34O5Si3 and a molecular weight of 378.69 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate
PubChem CID528649
Molecular FormulaC15H34O5Si3
Molecular Weight378.69 g/mol
Exact Mass378.17
IUPAC Namebis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate
SMILESC[Si](C)(C)OC(=O)CCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h13H,10-12H2,1-9H3
InChIKeySMEOAZFYCOIGCU-UHFFFAOYSA-N
XLogP4.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 54.13
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

3-Trimethylsiloxy(trimethylsilyl)caproate
CID 526006
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639
Bis(trimethylsilyl) 3-[(trimethylsilyl)oxy]dodecanedioate
CID 528647
Bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
CID 528648
3-Trimethylsiloxyoctanoic acid, trimethylsilyl ester
CID 553092
Decanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553954
Trimethylsilyl 3,12-bis(trimethylsilyloxy)dodecanoate
CID 173952176
Methyl 3-triethylsilylperoxyhexanoate
CID 85612780
methyl (3R)-3-triethylsilyloxyhexanoate
CID 135041151
Galactonic acid, hexakis-TMS
CID 523309
2,5-Dideoxypentonic acid, tris-TMS
CID 523318
2,6-Dideoxy-ribo-hexonic acid, tetrakis-TMS
CID 523320

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate?
The IUPAC name of bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate (CID 528649) is bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate is C[Si](C)(C)OC(=O)CCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate?
The InChIKey is SMEOAZFYCOIGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h13H,10-12H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate?
bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate has a molecular weight of 378.69 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-trimethylsilyloxyhexanedioate is sourced from PubChem (CID 528649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).