trimethylsilyl 3-trimethylsilyloxytetradecanoate

C20H44O3Si2 — CID 553557

IUPACtrimethylsilyl 3-trimethylsilyloxytetradecanoate
SMILESCCCCCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-8-9-10-11-12-13-14-15-16-17-19(22-24(2,3)4)18-20(21)23-25(5,6)7/h19H,8-18H2,1-7H3
InChIKeyWSDKKHKGVVIKSK-UHFFFAOYSA-N
MW388.74 g/mol
LogP6.90
Rot. Bonds15

About trimethylsilyl 3-trimethylsilyloxytetradecanoate

trimethylsilyl 3-trimethylsilyloxytetradecanoate (PubChem CID 553557) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is trimethylsilyl 3-trimethylsilyloxytetradecanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-trimethylsilyloxytetradecanoate
PubChem CID553557
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Nametrimethylsilyl 3-trimethylsilyloxytetradecanoate
SMILESCCCCCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-8-9-10-11-12-13-14-15-16-17-19(22-24(2,3)4)18-20(21)23-25(5,6)7/h19H,8-18H2,1-7H3
InChIKeyWSDKKHKGVVIKSK-UHFFFAOYSA-N
XLogP6.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.90
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 3-trimethylsilyloxytetradecanoate?
The IUPAC name of trimethylsilyl 3-trimethylsilyloxytetradecanoate (CID 553557) is trimethylsilyl 3-trimethylsilyloxytetradecanoate.
What is the SMILES notation for trimethylsilyl 3-trimethylsilyloxytetradecanoate?
The canonical SMILES for trimethylsilyl 3-trimethylsilyloxytetradecanoate is CCCCCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-trimethylsilyloxytetradecanoate?
The InChIKey is WSDKKHKGVVIKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-8-9-10-11-12-13-14-15-16-17-19(22-24(2,3)4)18-20(21)23-25(5,6)7/h19H,8-18H2,1-7H3.
What are the key properties of trimethylsilyl 3-trimethylsilyloxytetradecanoate?
trimethylsilyl 3-trimethylsilyloxytetradecanoate has a molecular weight of 388.74 g/mol, XLogP of 6.90, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-trimethylsilyloxytetradecanoate is sourced from PubChem (CID 553557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).