bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate

C28H62O6Si4 — CID 528598

IUPACbis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(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/C28H62O6Si4/c1-25(2,3)35(13,14)31-21(23(29)33-37(17,18)27(7,8)9)22(32-36(15,16)26(4,5)6)24(30)34-38(19,20)28(10,11)12/h21-22H,1-20H3
InChIKeyABIHNKRECDUQMP-UHFFFAOYSA-N
MW607.14 g/mol
LogP8.86
Rot. Bonds9

About bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate

bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate (PubChem CID 528598) has the molecular formula C28H62O6Si4 and a molecular weight of 607.14 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
PubChem CID528598
Molecular FormulaC28H62O6Si4
Molecular Weight607.14 g/mol
Exact Mass606.36
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(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/C28H62O6Si4/c1-25(2,3)35(13,14)31-21(23(29)33-37(17,18)27(7,8)9)22(32-36(15,16)26(4,5)6)24(30)34-38(19,20)28(10,11)12/h21-22H,1-20H3
InChIKeyABIHNKRECDUQMP-UHFFFAOYSA-N
XLogP8.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.14
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate (CID 528598) is bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate is CC(C)(C)[Si](C)(C)OC(=O)C(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 bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
The InChIKey is ABIHNKRECDUQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62O6Si4/c1-25(2,3)35(13,14)31-21(23(29)33-37(17,18)27(7,8)9)22(32-36(15,16)26(4,5)6)24(30)34-38(19,20)28(10,11)12/h21-22H,1-20H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate?
bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate has a molecular weight of 607.14 g/mol, XLogP of 8.86, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate is sourced from PubChem (CID 528598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).