2,3-bis(trimethylsilyloxy)propyl hexadecanoate

C25H54O4Si2 — CID 552033

IUPAC2,3-bis(trimethylsilyloxy)propyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H54O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(26)27-22-24(29-31(5,6)7)23-28-30(2,3)4/h24H,8-23H2,1-7H3
InChIKeyLUHPQMTVPLRAQA-UHFFFAOYSA-N
MW474.88 g/mol
LogP8.08
Rot. Bonds21

About 2,3-bis(trimethylsilyloxy)propyl hexadecanoate

2,3-bis(trimethylsilyloxy)propyl hexadecanoate (PubChem CID 552033) has the molecular formula C25H54O4Si2 and a molecular weight of 474.88 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl hexadecanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl hexadecanoate
PubChem CID552033
Molecular FormulaC25H54O4Si2
Molecular Weight474.88 g/mol
Exact Mass474.36
IUPAC Name2,3-bis(trimethylsilyloxy)propyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C25H54O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(26)27-22-24(29-31(5,6)7)23-28-30(2,3)4/h24H,8-23H2,1-7H3
InChIKeyLUHPQMTVPLRAQA-UHFFFAOYSA-N
XLogP8.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.88
LogP ≤ 58.08
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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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyloxy)propyl hexadecanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl hexadecanoate (CID 552033) is 2,3-bis(trimethylsilyloxy)propyl hexadecanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl hexadecanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl hexadecanoate?
The InChIKey is LUHPQMTVPLRAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(26)27-22-24(29-31(5,6)7)23-28-30(2,3)4/h24H,8-23H2,1-7H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl hexadecanoate?
2,3-bis(trimethylsilyloxy)propyl hexadecanoate has a molecular weight of 474.88 g/mol, XLogP of 8.08, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyloxy)propyl hexadecanoate is sourced from PubChem (CID 552033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).