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

C30H64O7Si4 — CID 6430567

IUPACtris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(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/C30H64O7Si4/c1-27(2,3)38(13,14)34-23(31)21-22(25(32)36-40(17,18)29(7,8)9)24(35-39(15,16)28(4,5)6)26(33)37-41(19,20)30(10,11)12/h22,24H,21H2,1-20H3
InChIKeyVTGQOGVLTQSXMO-UHFFFAOYSA-N
MW649.18 g/mol
LogP9.03
Rot. Bonds10

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

tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate (PubChem CID 6430567) has the molecular formula C30H64O7Si4 and a molecular weight of 649.18 g/mol. Its IUPAC name is tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate
PubChem CID6430567
Molecular FormulaC30H64O7Si4
Molecular Weight649.18 g/mol
Exact Mass648.37
IUPAC Nametris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(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/C30H64O7Si4/c1-27(2,3)38(13,14)34-23(31)21-22(25(32)36-40(17,18)29(7,8)9)24(35-39(15,16)28(4,5)6)26(33)37-41(19,20)30(10,11)12/h22,24H,21H2,1-20H3
InChIKeyVTGQOGVLTQSXMO-UHFFFAOYSA-N
XLogP9.03
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.18
LogP ≤ 59.03
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
Methylcitric acid, tetrakis(trimethylsilyl) deriv.
CID 530815
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
Isocitric lactone acid, bis(trimethylsilyl) ester
CID 553088
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-Hydroxyglutarate, TBDMS
CID 634802
Isocitric acid lactone, 2TBDMS derivative
CID 91696982
Arabinonic acid, pentakis-TMS
CID 523307

Frequently Asked Questions

What is the IUPAC name of tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate?
The IUPAC name of tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate (CID 6430567) is tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate?
The canonical SMILES for tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate is CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(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] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate?
The InChIKey is VTGQOGVLTQSXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O7Si4/c1-27(2,3)38(13,14)34-23(31)21-22(25(32)36-40(17,18)29(7,8)9)24(35-39(15,16)28(4,5)6)26(33)37-41(19,20)30(10,11)12/h22,24H,21H2,1-20H3.
What are the key properties of tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate?
tris[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate has a molecular weight of 649.18 g/mol, XLogP of 9.03, 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] 1-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 6430567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).