(E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid

C25H50O6Si2 — CID 58113135

IUPAC(E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid
SMILESCCCCCC/C=C/C(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC)C(=O)O
InChIInChI=1S/C25H50O6Si2/c1-7-9-11-12-13-14-16-23(25(27)28)22-24(26)30-19-18-29-17-15-21-33(5,6)31-32(3,4)20-10-8-2/h14,16,23H,7-13,15,17-22H2,1-6H3,(H,27,28)/b16-14+
InChIKeySVTGPHQCPNPVQF-JQIJEIRASA-N
MW502.84 g/mol
LogP6.78
Rot. Bonds21

About (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid

(E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid (PubChem CID 58113135) has the molecular formula C25H50O6Si2 and a molecular weight of 502.84 g/mol. Its IUPAC name is (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid.

Molecular Properties

Compound Name(E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid
PubChem CID58113135
Molecular FormulaC25H50O6Si2
Molecular Weight502.84 g/mol
Exact Mass502.31
IUPAC Name(E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid
SMILESCCCCCC/C=C/C(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC)C(=O)O
InChIInChI=1S/C25H50O6Si2/c1-7-9-11-12-13-14-16-23(25(27)28)22-24(26)30-19-18-29-17-15-21-33(5,6)31-32(3,4)20-10-8-2/h14,16,23H,7-13,15,17-22H2,1-6H3,(H,27,28)/b16-14+
InChIKeySVTGPHQCPNPVQF-JQIJEIRASA-N
XLogP6.78
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.84
LogP ≤ 56.78
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid?
The IUPAC name of (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid (CID 58113135) is (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid.
What is the SMILES notation for (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid?
The canonical SMILES for (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid is CCCCCC/C=C/C(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC)C(=O)O.
What is the InChIKey of (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid?
The InChIKey is SVTGPHQCPNPVQF-JQIJEIRASA-N. The full InChI is InChI=1S/C25H50O6Si2/c1-7-9-11-12-13-14-16-23(25(27)28)22-24(26)30-19-18-29-17-15-21-33(5,6)31-32(3,4)20-10-8-2/h14,16,23H,7-13,15,17-22H2,1-6H3,(H,27,28)/b16-14+.
What are the key properties of (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid?
(E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid has a molecular weight of 502.84 g/mol, XLogP of 6.78, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]dec-3-enoic acid is sourced from PubChem (CID 58113135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).