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

C28H60O6Si3 — CID 59616608

IUPAC11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
SMILESC[Si](C)(CCCCCCCCCCC(=O)O)O[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C28H60O6Si3/c1-35(2,25-21-17-13-9-7-11-15-19-23-27(29)30)33-37(5,6)34-36(3,4)26-22-18-14-10-8-12-16-20-24-28(31)32/h7-26H2,1-6H3,(H,29,30)(H,31,32)
InChIKeyXHTPIXXHZHNLQM-UHFFFAOYSA-N
MW577.04 g/mol
LogP9.32
Rot. Bonds26

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

11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid (PubChem CID 59616608) has the molecular formula C28H60O6Si3 and a molecular weight of 577.04 g/mol. Its IUPAC name is 11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid.

Molecular Properties

Compound Name11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
PubChem CID59616608
Molecular FormulaC28H60O6Si3
Molecular Weight577.04 g/mol
Exact Mass576.37
IUPAC Name11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
SMILESC[Si](C)(CCCCCCCCCCC(=O)O)O[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C28H60O6Si3/c1-35(2,25-21-17-13-9-7-11-15-19-23-27(29)30)33-37(5,6)34-36(3,4)26-22-18-14-10-8-12-16-20-24-28(31)32/h7-26H2,1-6H3,(H,29,30)(H,31,32)
InChIKeyXHTPIXXHZHNLQM-UHFFFAOYSA-N
XLogP9.32
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.04
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]oxy-dimethylsilyl]undecanoic acid?
The IUPAC name of 11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid (CID 59616608) is 11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid.
What is the SMILES notation for 11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid?
The canonical SMILES for 11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid is C[Si](C)(CCCCCCCCCCC(=O)O)O[Si](C)(C)O[Si](C)(C)CCCCCCCCCCC(=O)O.
What is the InChIKey of 11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid?
The InChIKey is XHTPIXXHZHNLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O6Si3/c1-35(2,25-21-17-13-9-7-11-15-19-23-27(29)30)33-37(5,6)34-36(3,4)26-22-18-14-10-8-12-16-20-24-28(31)32/h7-26H2,1-6H3,(H,29,30)(H,31,32).
What are the key properties of 11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid?
11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid has a molecular weight of 577.04 g/mol, XLogP of 9.32, 26 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[[10-carboxydecyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid is sourced from PubChem (CID 59616608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).