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

C27H48O5Si — CID 57272898

IUPAC[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate
SMILESCCCCCCCCCCCCC(=O)C(O)C(OC(C)=O)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C27H48O5Si/c1-6-10-11-12-13-14-15-16-17-18-19-24(29)26(30)27(32-22(5)28)23-20-25(31-21-23)33(7-2,8-3)9-4/h20-21,26-27,30H,6-19H2,1-5H3
InChIKeyJUDVGXWHFCKWFW-UHFFFAOYSA-N
MW480.76 g/mol
LogP6.84
Rot. Bonds19

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

[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate (PubChem CID 57272898) has the molecular formula C27H48O5Si and a molecular weight of 480.76 g/mol. Its IUPAC name is [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate
PubChem CID57272898
Molecular FormulaC27H48O5Si
Molecular Weight480.76 g/mol
Exact Mass480.33
IUPAC Name[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate
SMILESCCCCCCCCCCCCC(=O)C(O)C(OC(C)=O)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C27H48O5Si/c1-6-10-11-12-13-14-15-16-17-18-19-24(29)26(30)27(32-22(5)28)23-20-25(31-21-23)33(7-2,8-3)9-4/h20-21,26-27,30H,6-19H2,1-5H3
InChIKeyJUDVGXWHFCKWFW-UHFFFAOYSA-N
XLogP6.84
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.76
LogP ≤ 56.84
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)tetradecyl] acetate
CID 57127967
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)pentadecyl] acetate?
The IUPAC name of [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate (CID 57272898) is [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate.
What is the SMILES notation for [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate?
The canonical SMILES for [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate is CCCCCCCCCCCCC(=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)pentadecyl] acetate?
The InChIKey is JUDVGXWHFCKWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O5Si/c1-6-10-11-12-13-14-15-16-17-18-19-24(29)26(30)27(32-22(5)28)23-20-25(31-21-23)33(7-2,8-3)9-4/h20-21,26-27,30H,6-19H2,1-5H3.
What are the key properties of [2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate?
[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate has a molecular weight of 480.76 g/mol, XLogP of 6.84, 19 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)pentadecyl] acetate is sourced from PubChem (CID 57272898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).