2,3-bis(trimethylsilyloxy)propyl dodecanoate

C21H46O4Si2 — CID 628819

IUPAC2,3-bis(trimethylsilyloxy)propyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-8-9-10-11-12-13-14-15-16-17-21(22)23-18-20(25-27(5,6)7)19-24-26(2,3)4/h20H,8-19H2,1-7H3
InChIKeyFPYKFOLJVLTPBS-UHFFFAOYSA-N
MW418.77 g/mol
LogP6.52
Rot. Bonds17

About 2,3-bis(trimethylsilyloxy)propyl dodecanoate

2,3-bis(trimethylsilyloxy)propyl dodecanoate (PubChem CID 628819) has the molecular formula C21H46O4Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl dodecanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl dodecanoate
PubChem CID628819
Molecular FormulaC21H46O4Si2
Molecular Weight418.77 g/mol
Exact Mass418.29
IUPAC Name2,3-bis(trimethylsilyloxy)propyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-8-9-10-11-12-13-14-15-16-17-21(22)23-18-20(25-27(5,6)7)19-24-26(2,3)4/h20H,8-19H2,1-7H3
InChIKeyFPYKFOLJVLTPBS-UHFFFAOYSA-N
XLogP6.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.52
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 dodecanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl dodecanoate (CID 628819) is 2,3-bis(trimethylsilyloxy)propyl dodecanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl dodecanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl dodecanoate is CCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl dodecanoate?
The InChIKey is FPYKFOLJVLTPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O4Si2/c1-8-9-10-11-12-13-14-15-16-17-21(22)23-18-20(25-27(5,6)7)19-24-26(2,3)4/h20H,8-19H2,1-7H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl dodecanoate?
2,3-bis(trimethylsilyloxy)propyl dodecanoate has a molecular weight of 418.77 g/mol, XLogP of 6.52, 17 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 dodecanoate is sourced from PubChem (CID 628819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).