bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate

C12H28O5Si3 — CID 520885

IUPACbis(trimethylsilyl) 2-trimethylsilyloxypropanedioate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O5Si3/c1-18(2,3)15-10(11(13)16-19(4,5)6)12(14)17-20(7,8)9/h10H,1-9H3
InChIKeyFVBGDMUSQDIQPK-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.96
Rot. Bonds6

About bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate

bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate (PubChem CID 520885) has the molecular formula C12H28O5Si3 and a molecular weight of 336.61 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxypropanedioate
PubChem CID520885
Molecular FormulaC12H28O5Si3
Molecular Weight336.61 g/mol
Exact Mass336.12
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxypropanedioate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H28O5Si3/c1-18(2,3)15-10(11(13)16-19(4,5)6)12(14)17-20(7,8)9/h10H,1-9H3
InChIKeyFVBGDMUSQDIQPK-UHFFFAOYSA-N
XLogP2.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Bis(trimethylsilyl)lactate
CID 519450
Trimethylsilyl (2S)-2-[(trimethylsilyl)oxy]propanoate
CID 12642213
Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
Glyceric acid tris-TMS
CID 520886
2-(4-Bromobutyl)-9,10-dihydrophenanthrene
CID 528652
Glyceric acid, diTMS
CID 6430478
Ketomalonic acid, TMS
CID 23324411
2,3-Bis[(tms)oxy]propanoic acid
CID 129849725
4-Deoxytetronic acid, threo-, tri-TMS
CID 523376
C-(Hydroxymethyl)glyceraric acid, TMS
CID 523393
C-Methylglyceraric acid, TMS
CID 523395
Erythronic acid, tetra-TMS
CID 528655

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate (CID 520885) is bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate is C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate?
The InChIKey is FVBGDMUSQDIQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O5Si3/c1-18(2,3)15-10(11(13)16-19(4,5)6)12(14)17-20(7,8)9/h10H,1-9H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate has a molecular weight of 336.61 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxypropanedioate is sourced from PubChem (CID 520885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).