bis(tributylsilyl) 2-hydroxybutanedioate

C28H58O5Si2 — CID 139812732

IUPACbis(tributylsilyl) 2-hydroxybutanedioate
SMILESCCCC[Si](CCCC)(CCCC)OC(=O)CC(O)C(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C28H58O5Si2/c1-7-13-19-34(20-14-8-2,21-15-9-3)32-27(30)25-26(29)28(31)33-35(22-16-10-4,23-17-11-5)24-18-12-6/h26,29H,7-25H2,1-6H3
InChIKeyXOPJHMUMJOMMAP-UHFFFAOYSA-N
MW530.94 g/mol
LogP8.52
Rot. Bonds23

About bis(tributylsilyl) 2-hydroxybutanedioate

bis(tributylsilyl) 2-hydroxybutanedioate (PubChem CID 139812732) has the molecular formula C28H58O5Si2 and a molecular weight of 530.94 g/mol. Its IUPAC name is bis(tributylsilyl) 2-hydroxybutanedioate.

Molecular Properties

Compound Namebis(tributylsilyl) 2-hydroxybutanedioate
PubChem CID139812732
Molecular FormulaC28H58O5Si2
Molecular Weight530.94 g/mol
Exact Mass530.38
IUPAC Namebis(tributylsilyl) 2-hydroxybutanedioate
SMILESCCCC[Si](CCCC)(CCCC)OC(=O)CC(O)C(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C28H58O5Si2/c1-7-13-19-34(20-14-8-2,21-15-9-3)32-27(30)25-26(29)28(31)33-35(22-16-10-4,23-17-11-5)24-18-12-6/h26,29H,7-25H2,1-6H3
InChIKeyXOPJHMUMJOMMAP-UHFFFAOYSA-N
XLogP8.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.94
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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(tributylsilyl) 2-hydroxybutanedioate?
The IUPAC name of bis(tributylsilyl) 2-hydroxybutanedioate (CID 139812732) is bis(tributylsilyl) 2-hydroxybutanedioate.
What is the SMILES notation for bis(tributylsilyl) 2-hydroxybutanedioate?
The canonical SMILES for bis(tributylsilyl) 2-hydroxybutanedioate is CCCC[Si](CCCC)(CCCC)OC(=O)CC(O)C(=O)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of bis(tributylsilyl) 2-hydroxybutanedioate?
The InChIKey is XOPJHMUMJOMMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O5Si2/c1-7-13-19-34(20-14-8-2,21-15-9-3)32-27(30)25-26(29)28(31)33-35(22-16-10-4,23-17-11-5)24-18-12-6/h26,29H,7-25H2,1-6H3.
What are the key properties of bis(tributylsilyl) 2-hydroxybutanedioate?
bis(tributylsilyl) 2-hydroxybutanedioate has a molecular weight of 530.94 g/mol, XLogP of 8.52, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tributylsilyl) 2-hydroxybutanedioate is sourced from PubChem (CID 139812732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).