5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid

C20H42O6Si2 — CID 58113143

IUPAC5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C20H42O6Si2/c1-8-9-14-27(4,5)26-28(6,7)15-10-11-24-12-13-25-19(23)17-20(2,3)16-18(21)22/h8-17H2,1-7H3,(H,21,22)
InChIKeyRLDBVZAGONJTRU-UHFFFAOYSA-N
MW434.72 g/mol
LogP5.05
Rot. Bonds16

About 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid

5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 58113143) has the molecular formula C20H42O6Si2 and a molecular weight of 434.72 g/mol. Its IUPAC name is 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID58113143
Molecular FormulaC20H42O6Si2
Molecular Weight434.72 g/mol
Exact Mass434.25
IUPAC Name5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C20H42O6Si2/c1-8-9-14-27(4,5)26-28(6,7)15-10-11-24-12-13-25-19(23)17-20(2,3)16-18(21)22/h8-17H2,1-7H3,(H,21,22)
InChIKeyRLDBVZAGONJTRU-UHFFFAOYSA-N
XLogP5.05
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.72
LogP ≤ 55.05
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid (CID 58113143) is 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid is CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is RLDBVZAGONJTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O6Si2/c1-8-9-14-27(4,5)26-28(6,7)15-10-11-24-12-13-25-19(23)17-20(2,3)16-18(21)22/h8-17H2,1-7H3,(H,21,22).
What are the key properties of 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid?
5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 434.72 g/mol, XLogP of 5.05, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 58113143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).