(3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate

C22H44O5Si — CID 91751332

IUPAC(3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate
SMILESCCCCCCCCCC(=O)OCC(COC(=O)CCCCC)O[Si](C)(C)C
InChIInChI=1S/C22H44O5Si/c1-6-8-10-11-12-13-15-17-22(24)26-19-20(27-28(3,4)5)18-25-21(23)16-14-9-7-2/h20H,6-19H2,1-5H3
InChIKeyFDQGGFJNQFONII-UHFFFAOYSA-N
MW416.68 g/mol
LogP6.01
Rot. Bonds18

About (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate

(3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate (PubChem CID 91751332) has the molecular formula C22H44O5Si and a molecular weight of 416.68 g/mol. Its IUPAC name is (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate.

Molecular Properties

Compound Name(3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate
PubChem CID91751332
Molecular FormulaC22H44O5Si
Molecular Weight416.68 g/mol
Exact Mass416.30
IUPAC Name(3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate
SMILESCCCCCCCCCC(=O)OCC(COC(=O)CCCCC)O[Si](C)(C)C
InChIInChI=1S/C22H44O5Si/c1-6-8-10-11-12-13-15-17-22(24)26-19-20(27-28(3,4)5)18-25-21(23)16-14-9-7-2/h20H,6-19H2,1-5H3
InChIKeyFDQGGFJNQFONII-UHFFFAOYSA-N
XLogP6.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.68
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tricaprylin
CID 10850
Tricaprin
CID 69310
Tripalmitin
CID 11147
Trilaurin
CID 10851
Tristearin
CID 11146
Triheptanoin
CID 69286
Glyceryl Tribehenate
CID 62726
Trimyristin
CID 11148
Propylene Glycol Dipelargonate
CID 38855
Triarachidin
CID 522017
Propylene Glycol Dicaprylate
CID 94339
Triundecanoin
CID 83574

Frequently Asked Questions

What is the IUPAC name of (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate?
The IUPAC name of (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate (CID 91751332) is (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate.
What is the SMILES notation for (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate?
The canonical SMILES for (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate is CCCCCCCCCC(=O)OCC(COC(=O)CCCCC)O[Si](C)(C)C.
What is the InChIKey of (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate?
The InChIKey is FDQGGFJNQFONII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O5Si/c1-6-8-10-11-12-13-15-17-22(24)26-19-20(27-28(3,4)5)18-25-21(23)16-14-9-7-2/h20H,6-19H2,1-5H3.
What are the key properties of (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate?
(3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate has a molecular weight of 416.68 g/mol, XLogP of 6.01, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexanoyloxy-2-trimethylsilyloxypropyl) decanoate is sourced from PubChem (CID 91751332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).