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

C30H64O7Si4 — CID 528571

IUPACtris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC(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/C30H64O7Si4/c1-26(2,3)38(13,14)34-23(31)21-30(37-41(19,20)29(10,11)12,25(33)36-40(17,18)28(7,8)9)22-24(32)35-39(15,16)27(4,5)6/h21-22H2,1-20H3
InChIKeyLYMHMSBQXFZXLH-UHFFFAOYSA-N
MW649.18 g/mol
LogP9.17
Rot. Bonds10

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

tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate (PubChem CID 528571) has the molecular formula C30H64O7Si4 and a molecular weight of 649.18 g/mol. Its IUPAC name is tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate
PubChem CID528571
Molecular FormulaC30H64O7Si4
Molecular Weight649.18 g/mol
Exact Mass648.37
IUPAC Nametris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC(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/C30H64O7Si4/c1-26(2,3)38(13,14)34-23(31)21-30(37-41(19,20)29(10,11)12,25(33)36-40(17,18)28(7,8)9)22-24(32)35-39(15,16)27(4,5)6/h21-22H2,1-20H3
InChIKeyLYMHMSBQXFZXLH-UHFFFAOYSA-N
XLogP9.17
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 ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate?
The IUPAC name of tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate (CID 528571) is tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate?
The canonical SMILES for tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate is CC(C)(C)[Si](C)(C)OC(=O)CC(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]oxypropane-1,2,3-tricarboxylate?
The InChIKey is LYMHMSBQXFZXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O7Si4/c1-26(2,3)38(13,14)34-23(31)21-30(37-41(19,20)29(10,11)12,25(33)36-40(17,18)28(7,8)9)22-24(32)35-39(15,16)27(4,5)6/h21-22H2,1-20H3.
What are the key properties of tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate?
tris[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxypropane-1,2,3-tricarboxylate has a molecular weight of 649.18 g/mol, XLogP of 9.17, 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]oxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 528571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).