bis(2-trimethylsilylethyl) hexadecanedioate

C26H54O4Si2 — CID 57079099

IUPACbis(2-trimethylsilylethyl) hexadecanedioate
SMILESC[Si](C)(C)CCOC(=O)CCCCCCCCCCCCCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C26H54O4Si2/c1-31(2,3)23-21-29-25(27)19-17-15-13-11-9-7-8-10-12-14-16-18-20-26(28)30-22-24-32(4,5)6/h7-24H2,1-6H3
InChIKeyHHEVZODKGIMREE-UHFFFAOYSA-N
MW486.89 g/mol
LogP8.21
Rot. Bonds21

About bis(2-trimethylsilylethyl) hexadecanedioate

bis(2-trimethylsilylethyl) hexadecanedioate (PubChem CID 57079099) has the molecular formula C26H54O4Si2 and a molecular weight of 486.89 g/mol. Its IUPAC name is bis(2-trimethylsilylethyl) hexadecanedioate.

Molecular Properties

Compound Namebis(2-trimethylsilylethyl) hexadecanedioate
PubChem CID57079099
Molecular FormulaC26H54O4Si2
Molecular Weight486.89 g/mol
Exact Mass486.36
IUPAC Namebis(2-trimethylsilylethyl) hexadecanedioate
SMILESC[Si](C)(C)CCOC(=O)CCCCCCCCCCCCCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C26H54O4Si2/c1-31(2,3)23-21-29-25(27)19-17-15-13-11-9-7-8-10-12-14-16-18-20-26(28)30-22-24-32(4,5)6/h7-24H2,1-6H3
InChIKeyHHEVZODKGIMREE-UHFFFAOYSA-N
XLogP8.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.89
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dibutyl Sebacate
CID 7986
Dihexyl azelate
CID 7985
Dibutyl azelate
CID 18016
Dioctyl decanedioate
CID 75516
1,3-Propanediol dicaprylate
CID 3085110
Cetearyl Stearate
CID 71486851
Decanedioic acid, 1,10-dinonyl ester
CID 20075
Hexanediol Distearate
CID 117853
Propanediol Dipelargonate
CID 14839733
Propanediol dicaprate
CID 20482300
Didecyl sebacate
CID 17081
Nonanoic acid, diester with oxybis(propanol)
CID 114078

Frequently Asked Questions

What is the IUPAC name of bis(2-trimethylsilylethyl) hexadecanedioate?
The IUPAC name of bis(2-trimethylsilylethyl) hexadecanedioate (CID 57079099) is bis(2-trimethylsilylethyl) hexadecanedioate.
What is the SMILES notation for bis(2-trimethylsilylethyl) hexadecanedioate?
The canonical SMILES for bis(2-trimethylsilylethyl) hexadecanedioate is C[Si](C)(C)CCOC(=O)CCCCCCCCCCCCCCC(=O)OCC[Si](C)(C)C.
What is the InChIKey of bis(2-trimethylsilylethyl) hexadecanedioate?
The InChIKey is HHEVZODKGIMREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O4Si2/c1-31(2,3)23-21-29-25(27)19-17-15-13-11-9-7-8-10-12-14-16-18-20-26(28)30-22-24-32(4,5)6/h7-24H2,1-6H3.
What are the key properties of bis(2-trimethylsilylethyl) hexadecanedioate?
bis(2-trimethylsilylethyl) hexadecanedioate has a molecular weight of 486.89 g/mol, XLogP of 8.21, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-trimethylsilylethyl) hexadecanedioate is sourced from PubChem (CID 57079099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).