11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid

C26H54O5Si2 — CID 3732578

IUPAC11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid
SMILESC[Si](C)(CCCCCCCCCCC(=O)O)O[Si](C)(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C26H54O5Si2/c1-32(2,23-19-15-11-7-5-9-13-17-21-25(27)28)31-33(3,4)24-20-16-12-8-6-10-14-18-22-26(29)30/h5-24H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyYQKRGWLIRPNNHG-UHFFFAOYSA-N
MW502.89 g/mol
LogP8.60
Rot. Bonds24

About 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid

11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid (PubChem CID 3732578) has the molecular formula C26H54O5Si2 and a molecular weight of 502.89 g/mol. Its IUPAC name is 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid.

Molecular Properties

Compound Name11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid
PubChem CID3732578
Molecular FormulaC26H54O5Si2
Molecular Weight502.89 g/mol
Exact Mass502.35
IUPAC Name11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid
SMILESC[Si](C)(CCCCCCCCCCC(=O)O)O[Si](C)(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C26H54O5Si2/c1-32(2,23-19-15-11-7-5-9-13-17-21-25(27)28)31-33(3,4)24-20-16-12-8-6-10-14-18-22-26(29)30/h5-24H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyYQKRGWLIRPNNHG-UHFFFAOYSA-N
XLogP8.60
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.89
LogP ≤ 58.60
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid?
The IUPAC name of 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid (CID 3732578) is 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid.
What is the SMILES notation for 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid?
The canonical SMILES for 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid is C[Si](C)(CCCCCCCCCCC(=O)O)O[Si](C)(C)CCCCCCCCCCC(=O)O.
What is the InChIKey of 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid?
The InChIKey is YQKRGWLIRPNNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O5Si2/c1-32(2,23-19-15-11-7-5-9-13-17-21-25(27)28)31-33(3,4)24-20-16-12-8-6-10-14-18-22-26(29)30/h5-24H2,1-4H3,(H,27,28)(H,29,30).
What are the key properties of 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid?
11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid has a molecular weight of 502.89 g/mol, XLogP of 8.60, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoic acid is sourced from PubChem (CID 3732578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).