bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate

C24H58O8Si6 — CID 553859

IUPACbis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C24H58O8Si6/c1-33(2,3)27-19(21(29-35(7,8)9)23(25)31-37(13,14)15)20(28-34(4,5)6)22(30-36(10,11)12)24(26)32-38(16,17)18/h19-22H,1-18H3
InChIKeyAFNUGMFTFWKGLV-UHFFFAOYSA-N
MW643.24 g/mol
LogP6.62
Rot. Bonds15

About bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate

bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate (PubChem CID 553859) has the molecular formula C24H58O8Si6 and a molecular weight of 643.24 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate
PubChem CID553859
Molecular FormulaC24H58O8Si6
Molecular Weight643.24 g/mol
Exact Mass642.27
IUPAC Namebis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C24H58O8Si6/c1-33(2,3)27-19(21(29-35(7,8)9)23(25)31-37(13,14)15)20(28-34(4,5)6)22(30-36(10,11)12)24(26)32-38(16,17)18/h19-22H,1-18H3
InChIKeyAFNUGMFTFWKGLV-UHFFFAOYSA-N
XLogP6.62
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.24
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate?
The IUPAC name of bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate (CID 553859) is bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate is C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate?
The InChIKey is AFNUGMFTFWKGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H58O8Si6/c1-33(2,3)27-19(21(29-35(7,8)9)23(25)31-37(13,14)15)20(28-34(4,5)6)22(30-36(10,11)12)24(26)32-38(16,17)18/h19-22H,1-18H3.
What are the key properties of bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate?
bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate has a molecular weight of 643.24 g/mol, XLogP of 6.62, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2,3,4,5-tetrakis(trimethylsilyloxy)hexanedioate is sourced from PubChem (CID 553859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).