tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate

C19H42O7Si4 — CID 530815

IUPACtris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate
SMILESCC(C(=O)O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H42O7Si4/c1-14(17(20)24-28(5,6)7)15(18(21)25-29(8,9)10)16(23-27(2,3)4)19(22)26-30(11,12)13/h14-16H,1-13H3
InChIKeyPJGUFNNMVFUWFQ-UHFFFAOYSA-N
MW494.88 g/mol
LogP4.59
Rot. Bonds10

About tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate

tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate (PubChem CID 530815) has the molecular formula C19H42O7Si4 and a molecular weight of 494.88 g/mol. Its IUPAC name is tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate
PubChem CID530815
Molecular FormulaC19H42O7Si4
Molecular Weight494.88 g/mol
Exact Mass494.20
IUPAC Nametris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate
SMILESCC(C(=O)O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H42O7Si4/c1-14(17(20)24-28(5,6)7)15(18(21)25-29(8,9)10)16(23-27(2,3)4)19(22)26-30(11,12)13/h14-16H,1-13H3
InChIKeyPJGUFNNMVFUWFQ-UHFFFAOYSA-N
XLogP4.59
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.88
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
2-Isopropylmalic acid, O-trimethylsilyl-, bis(trimethylsilyl) ester
CID 91696892
Isocitric acid lactone, 2TBDMS derivative
CID 91696982
Arabinonic acid, pentakis-TMS
CID 523307
2-C-(Hydroxymethyl)pentonic acid, hexakis-TMS
CID 523321
2-C-Methylarabinonic acid, pentakis-TMS
CID 523323

Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate?
The IUPAC name of tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate (CID 530815) is tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate.
What is the SMILES notation for tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate?
The canonical SMILES for tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate is CC(C(=O)O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate?
The InChIKey is PJGUFNNMVFUWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O7Si4/c1-14(17(20)24-28(5,6)7)15(18(21)25-29(8,9)10)16(23-27(2,3)4)19(22)26-30(11,12)13/h14-16H,1-13H3.
What are the key properties of tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate?
tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate has a molecular weight of 494.88 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyl) 1-trimethylsilyloxybutane-1,2,3-tricarboxylate is sourced from PubChem (CID 530815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).