2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid

C20H40O6Si2 — CID 58113141

IUPAC2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid
SMILESC=CCC(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC)C(=O)O
InChIInChI=1S/C20H40O6Si2/c1-7-9-15-27(3,4)26-28(5,6)16-10-12-24-13-14-25-19(21)17-18(11-8-2)20(22)23/h8,18H,2,7,9-17H2,1,3-6H3,(H,22,23)
InChIKeyWSDVWLHAGSUYPR-UHFFFAOYSA-N
MW432.71 g/mol
LogP4.83
Rot. Bonds17

About 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid

2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid (PubChem CID 58113141) has the molecular formula C20H40O6Si2 and a molecular weight of 432.71 g/mol. Its IUPAC name is 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid.

Molecular Properties

Compound Name2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid
PubChem CID58113141
Molecular FormulaC20H40O6Si2
Molecular Weight432.71 g/mol
Exact Mass432.24
IUPAC Name2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid
SMILESC=CCC(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC)C(=O)O
InChIInChI=1S/C20H40O6Si2/c1-7-9-15-27(3,4)26-28(5,6)16-10-12-24-13-14-25-19(21)17-18(11-8-2)20(22)23/h8,18H,2,7,9-17H2,1,3-6H3,(H,22,23)
InChIKeyWSDVWLHAGSUYPR-UHFFFAOYSA-N
XLogP4.83
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.83
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 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid?
The IUPAC name of 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid (CID 58113141) is 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid.
What is the SMILES notation for 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid?
The canonical SMILES for 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid is C=CCC(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC)C(=O)O.
What is the InChIKey of 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid?
The InChIKey is WSDVWLHAGSUYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O6Si2/c1-7-9-15-27(3,4)26-28(5,6)16-10-12-24-13-14-25-19(21)17-18(11-8-2)20(22)23/h8,18H,2,7,9-17H2,1,3-6H3,(H,22,23).
What are the key properties of 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid?
2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid has a molecular weight of 432.71 g/mol, XLogP of 4.83, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-oxoethyl]pent-4-enoic acid is sourced from PubChem (CID 58113141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).