tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate

C31H66O7Si4 — CID 6430569

IUPACtris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate
SMILESCC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H66O7Si4/c1-23(25(33)36-40(16,17)28(5,6)7)31(38-42(20,21)30(11,12)13,26(34)37-41(18,19)29(8,9)10)22-24(32)35-39(14,15)27(2,3)4/h23H,22H2,1-21H3
InChIKeyRGQSPHREDDNOIS-UHFFFAOYSA-N
MW663.21 g/mol
LogP9.42
Rot. Bonds10

About tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate

tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate (PubChem CID 6430569) has the molecular formula C31H66O7Si4 and a molecular weight of 663.21 g/mol. Its IUPAC name is tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate
PubChem CID6430569
Molecular FormulaC31H66O7Si4
Molecular Weight663.21 g/mol
Exact Mass662.39
IUPAC Nametris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate
SMILESCC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H66O7Si4/c1-23(25(33)36-40(16,17)28(5,6)7)31(38-42(20,21)30(11,12)13,26(34)37-41(18,19)29(8,9)10)22-24(32)35-39(14,15)27(2,3)4/h23H,22H2,1-21H3
InChIKeyRGQSPHREDDNOIS-UHFFFAOYSA-N
XLogP9.42
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.21
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Methylcitric acid, tetrakis(trimethylsilyl) deriv.
CID 530815
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
Citric Acid, tris(trimethylsilyl) ester
CID 91696760
2-Isopropylmalic acid, O-trimethylsilyl-, bis(trimethylsilyl) ester
CID 91696892
3-Deoxy-2-C-hydroxymethyl-erythro-pentaric acid, TMS
CID 523352
Isocitric acid, tetraTBDMS
CID 6430567
3-Deoxy-2-C-hydroxymethyl-threo-pentaric acid, TMS
CID 91746737
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440

Frequently Asked Questions

What is the IUPAC name of tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate?
The IUPAC name of tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate (CID 6430569) is tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate.
What is the SMILES notation for tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate?
The canonical SMILES for tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate is CC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate?
The InChIKey is RGQSPHREDDNOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H66O7Si4/c1-23(25(33)36-40(16,17)28(5,6)7)31(38-42(20,21)30(11,12)13,26(34)37-41(18,19)29(8,9)10)22-24(32)35-39(14,15)27(2,3)4/h23H,22H2,1-21H3.
What are the key properties of tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate?
tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate has a molecular weight of 663.21 g/mol, XLogP of 9.42, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-tricarboxylate is sourced from PubChem (CID 6430569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).