[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate

C26H46O5Si — CID 57127967

IUPAC[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate
SMILESCCCCCCCCCCCC(=O)C(O)C(OC(C)=O)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C26H46O5Si/c1-6-10-11-12-13-14-15-16-17-18-23(28)25(29)26(31-21(5)27)22-19-24(30-20-22)32(7-2,8-3)9-4/h19-20,25-26,29H,6-18H2,1-5H3
InChIKeyVQNUJSYVPRVJKG-UHFFFAOYSA-N
MW466.74 g/mol
LogP6.45
Rot. Bonds18

About [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate

[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate (PubChem CID 57127967) has the molecular formula C26H46O5Si and a molecular weight of 466.74 g/mol. Its IUPAC name is [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate
PubChem CID57127967
Molecular FormulaC26H46O5Si
Molecular Weight466.74 g/mol
Exact Mass466.31
IUPAC Name[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate
SMILESCCCCCCCCCCCC(=O)C(O)C(OC(C)=O)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C26H46O5Si/c1-6-10-11-12-13-14-15-16-17-18-23(28)25(29)26(31-21(5)27)22-19-24(30-20-22)32(7-2,8-3)9-4/h19-20,25-26,29H,6-18H2,1-5H3
InChIKeyVQNUJSYVPRVJKG-UHFFFAOYSA-N
XLogP6.45
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 56.45
H-Bond Donors ≤ 51
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

[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate
CID 57272898
N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide
CID 19019904
[2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate
CID 19019873
[dodecan-2-ylsulfonyl-[1-(5-triethylsilylfuran-3-yl)ethyl]amino] acetate
CID 57000508
1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]tridecyl acetate
CID 15723411
1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
CID 15037068
triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane
CID 54439251
[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
CID 15723385
1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896
[(2S)-3-oxopentadecan-2-yl] acetate
CID 101242684
[(1S)-1-(5-triethylsilylfuran-3-yl)but-3-ynyl] (2S)-2-acetyloxy-2-phenylacetate
CID 11015445
1-(5-trimethylsilylfuran-3-yl)hexan-1-ol
CID 70413121

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate?
The IUPAC name of [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate (CID 57127967) is [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate.
What is the SMILES notation for [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate?
The canonical SMILES for [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate is CCCCCCCCCCCC(=O)C(O)C(OC(C)=O)c1coc([Si](CC)(CC)CC)c1.
What is the InChIKey of [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate?
The InChIKey is VQNUJSYVPRVJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O5Si/c1-6-10-11-12-13-14-15-16-17-18-23(28)25(29)26(31-21(5)27)22-19-24(30-20-22)32(7-2,8-3)9-4/h19-20,25-26,29H,6-18H2,1-5H3.
What are the key properties of [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate?
[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate has a molecular weight of 466.74 g/mol, XLogP of 6.45, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate is sourced from PubChem (CID 57127967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).