2,3-bis(trimethylsilyloxy)propyl decanoate

C19H42O4Si2 — CID 553723

IUPAC2,3-bis(trimethylsilyloxy)propyl decanoate
SMILESCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-8-9-10-11-12-13-14-15-19(20)21-16-18(23-25(5,6)7)17-22-24(2,3)4/h18H,8-17H2,1-7H3
InChIKeyXTRBTZGYEPNGOK-UHFFFAOYSA-N
MW390.71 g/mol
LogP5.74
Rot. Bonds15

About 2,3-bis(trimethylsilyloxy)propyl decanoate

2,3-bis(trimethylsilyloxy)propyl decanoate (PubChem CID 553723) has the molecular formula C19H42O4Si2 and a molecular weight of 390.71 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl decanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl decanoate
PubChem CID553723
Molecular FormulaC19H42O4Si2
Molecular Weight390.71 g/mol
Exact Mass390.26
IUPAC Name2,3-bis(trimethylsilyloxy)propyl decanoate
SMILESCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-8-9-10-11-12-13-14-15-19(20)21-16-18(23-25(5,6)7)17-22-24(2,3)4/h18H,8-17H2,1-7H3
InChIKeyXTRBTZGYEPNGOK-UHFFFAOYSA-N
XLogP5.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 55.74
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 decanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl decanoate (CID 553723) is 2,3-bis(trimethylsilyloxy)propyl decanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl decanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl decanoate is CCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl decanoate?
The InChIKey is XTRBTZGYEPNGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O4Si2/c1-8-9-10-11-12-13-14-15-19(20)21-16-18(23-25(5,6)7)17-22-24(2,3)4/h18H,8-17H2,1-7H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl decanoate?
2,3-bis(trimethylsilyloxy)propyl decanoate has a molecular weight of 390.71 g/mol, XLogP of 5.74, 15 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 decanoate is sourced from PubChem (CID 553723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).