trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate

C15H38O5Si4 — CID 528655

IUPACtrimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H38O5Si4/c1-21(2,3)17-13(14(16)18-22(4,5)6)15(19-23(7,8)9)20-24(10,11)12/h13,15H,1-12H3
InChIKeyUDCVCBUOEWUKGQ-UHFFFAOYSA-N
MW410.81 g/mol
LogP4.61
Rot. Bonds9

About trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate

trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate (PubChem CID 528655) has the molecular formula C15H38O5Si4 and a molecular weight of 410.81 g/mol. Its IUPAC name is trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate
PubChem CID528655
Molecular FormulaC15H38O5Si4
Molecular Weight410.81 g/mol
Exact Mass410.18
IUPAC Nametrimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H38O5Si4/c1-21(2,3)17-13(14(16)18-22(4,5)6)15(19-23(7,8)9)20-24(10,11)12/h13,15H,1-12H3
InChIKeyUDCVCBUOEWUKGQ-UHFFFAOYSA-N
XLogP4.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
Bis(trimethylsilyl) 2-[(trimethylsilyl)oxy]malonate
CID 520885
Glyceric acid tris-TMS
CID 520886
2-(4-Bromobutyl)-9,10-dihydrophenanthrene
CID 528652
4-Deoxytetronic acid, threo-, tri-TMS
CID 523376
4-Deoxytetronic acid, erithro-, tri-TMS
CID 91751318
Glycerate, TBDMS
CID 615637
beta-Hydroxypyruvic acid, trimethylsilyl ether, trimethylsilyl ester
CID 91696629
trimethylsilyl (2S)-2,3-bis(trimethylsilyloxy)propanoate
CID 101586801
4-Deoxyerythronic acid, tris-TMS
CID 523375
threono-4-Deoxytetronic acid, tris-TMS
CID 523782
Trimethylsilyl 2,2-dimethyl-4,7-bis[(trimethylsilyl)oxy]-3,5-dioxa-4-phospha-2-silaoctan-8-oate
CID 53439539

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate?
The IUPAC name of trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate (CID 528655) is trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate.
What is the SMILES notation for trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate?
The canonical SMILES for trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate is C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate?
The InChIKey is UDCVCBUOEWUKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O5Si4/c1-21(2,3)17-13(14(16)18-22(4,5)6)15(19-23(7,8)9)20-24(10,11)12/h13,15H,1-12H3.
What are the key properties of trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate?
trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate has a molecular weight of 410.81 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3,3-tris(trimethylsilyloxy)propanoate is sourced from PubChem (CID 528655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).