trimethylsilyl 12-trimethylsilyloxyoctadecanoate

C24H52O3Si2 — CID 553334

IUPACtrimethylsilyl 12-trimethylsilyloxyoctadecanoate
SMILESCCCCCCC(CCCCCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H52O3Si2/c1-8-9-10-17-20-23(26-28(2,3)4)21-18-15-13-11-12-14-16-19-22-24(25)27-29(5,6)7/h23H,8-22H2,1-7H3
InChIKeyJVAFKRMVDNBHPD-UHFFFAOYSA-N
MW444.85 g/mol
LogP8.46
Rot. Bonds19

About trimethylsilyl 12-trimethylsilyloxyoctadecanoate

trimethylsilyl 12-trimethylsilyloxyoctadecanoate (PubChem CID 553334) has the molecular formula C24H52O3Si2 and a molecular weight of 444.85 g/mol. Its IUPAC name is trimethylsilyl 12-trimethylsilyloxyoctadecanoate.

Molecular Properties

Compound Nametrimethylsilyl 12-trimethylsilyloxyoctadecanoate
PubChem CID553334
Molecular FormulaC24H52O3Si2
Molecular Weight444.85 g/mol
Exact Mass444.35
IUPAC Nametrimethylsilyl 12-trimethylsilyloxyoctadecanoate
SMILESCCCCCCC(CCCCCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H52O3Si2/c1-8-9-10-17-20-23(26-28(2,3)4)21-18-15-13-11-12-14-16-19-22-24(25)27-29(5,6)7/h23H,8-22H2,1-7H3
InChIKeyJVAFKRMVDNBHPD-UHFFFAOYSA-N
XLogP8.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.85
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethylsilyl 12-trimethylsilyloxyoctadecanoate?
The IUPAC name of trimethylsilyl 12-trimethylsilyloxyoctadecanoate (CID 553334) is trimethylsilyl 12-trimethylsilyloxyoctadecanoate.
What is the SMILES notation for trimethylsilyl 12-trimethylsilyloxyoctadecanoate?
The canonical SMILES for trimethylsilyl 12-trimethylsilyloxyoctadecanoate is CCCCCCC(CCCCCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 12-trimethylsilyloxyoctadecanoate?
The InChIKey is JVAFKRMVDNBHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O3Si2/c1-8-9-10-17-20-23(26-28(2,3)4)21-18-15-13-11-12-14-16-19-22-24(25)27-29(5,6)7/h23H,8-22H2,1-7H3.
What are the key properties of trimethylsilyl 12-trimethylsilyloxyoctadecanoate?
trimethylsilyl 12-trimethylsilyloxyoctadecanoate has a molecular weight of 444.85 g/mol, XLogP of 8.46, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 12-trimethylsilyloxyoctadecanoate is sourced from PubChem (CID 553334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).