1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate

C32H60O3Si — CID 15037068

IUPAC1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
SMILESCCCCCCCCCCCCC(OC(=O)CCCCCCCCCCC)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C32H60O3Si/c1-6-8-10-12-14-16-18-19-21-23-25-30(29-27-32(34-28-29)36(3,4)5)35-31(33)26-24-22-20-17-15-13-11-9-7-2/h27-28,30H,6-26H2,1-5H3
InChIKeyQUEIIYPXWBORGO-UHFFFAOYSA-N
MW520.92 g/mol
LogP10.64
Rot. Bonds24

About 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate

1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate (PubChem CID 15037068) has the molecular formula C32H60O3Si and a molecular weight of 520.92 g/mol. Its IUPAC name is 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate.

Molecular Properties

Compound Name1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
PubChem CID15037068
Molecular FormulaC32H60O3Si
Molecular Weight520.92 g/mol
Exact Mass520.43
IUPAC Name1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
SMILESCCCCCCCCCCCCC(OC(=O)CCCCCCCCCCC)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C32H60O3Si/c1-6-8-10-12-14-16-18-19-21-23-25-30(29-27-32(34-28-29)36(3,4)5)35-31(33)26-24-22-20-17-15-13-11-9-7-2/h27-28,30H,6-26H2,1-5H3
InChIKeyQUEIIYPXWBORGO-UHFFFAOYSA-N
XLogP10.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.92
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate
CID 67902996
1-(5-trimethylsilylfuran-3-yl)tridecyl N-(1-phenylethyl)carbamate
CID 67903001
1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]tridecyl acetate
CID 15723411
1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896
1-(5-trimethylsilylfuran-3-yl)hexan-1-ol
CID 70413121
1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea
CID 15037084
[9-dimethylsilyloxy-10,10-dimethyl-1-(5-trimethylsilylfuran-3-yl)undecyl] acetate
CID 173367844
1-icosanoyloxydodecyl icosanoate
CID 121388091
1-pentadecanoyloxyoctyl pentadecanoate
CID 140629767
1-tridecanoyloxyoctyl tridecanoate
CID 121387970
1-icosanoyloxyoctyl icosanoate
CID 140629763
1-dodecanoyloxyoctyl dodecanoate
CID 140629725

Frequently Asked Questions

What is the IUPAC name of 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate?
The IUPAC name of 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate (CID 15037068) is 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate.
What is the SMILES notation for 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate?
The canonical SMILES for 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate is CCCCCCCCCCCCC(OC(=O)CCCCCCCCCCC)c1coc([Si](C)(C)C)c1.
What is the InChIKey of 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate?
The InChIKey is QUEIIYPXWBORGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60O3Si/c1-6-8-10-12-14-16-18-19-21-23-25-30(29-27-32(34-28-29)36(3,4)5)35-31(33)26-24-22-20-17-15-13-11-9-7-2/h27-28,30H,6-26H2,1-5H3.
What are the key properties of 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate?
1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate has a molecular weight of 520.92 g/mol, XLogP of 10.64, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate is sourced from PubChem (CID 15037068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).