5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate

C22H46O9Si2 — CID 87514659

IUPAC5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate
SMILESCCO[Si](CCCCC(=O)OC(=O)CCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H46O9Si2/c1-7-25-32(26-8-2,27-9-3)19-15-13-17-21(23)31-22(24)18-14-16-20-33(28-10-4,29-11-5)30-12-6/h7-20H2,1-6H3
InChIKeyLSKFYJNLCUIFGI-UHFFFAOYSA-N
MW510.77 g/mol
LogP4.49
Rot. Bonds22

About 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate

5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate (PubChem CID 87514659) has the molecular formula C22H46O9Si2 and a molecular weight of 510.77 g/mol. Its IUPAC name is 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate.

Molecular Properties

Compound Name5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate
PubChem CID87514659
Molecular FormulaC22H46O9Si2
Molecular Weight510.77 g/mol
Exact Mass510.27
IUPAC Name5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate
SMILESCCO[Si](CCCCC(=O)OC(=O)CCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C22H46O9Si2/c1-7-25-32(26-8-2,27-9-3)19-15-13-17-21(23)31-22(24)18-14-16-20-33(28-10-4,29-11-5)30-12-6/h7-20H2,1-6H3
InChIKeyLSKFYJNLCUIFGI-UHFFFAOYSA-N
XLogP4.49
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate?
The IUPAC name of 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate (CID 87514659) is 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate.
What is the SMILES notation for 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate?
The canonical SMILES for 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate is CCO[Si](CCCCC(=O)OC(=O)CCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate?
The InChIKey is LSKFYJNLCUIFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O9Si2/c1-7-25-32(26-8-2,27-9-3)19-15-13-17-21(23)31-22(24)18-14-16-20-33(28-10-4,29-11-5)30-12-6/h7-20H2,1-6H3.
What are the key properties of 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate?
5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate has a molecular weight of 510.77 g/mol, XLogP of 4.49, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-triethoxysilylpentanoyl 5-triethoxysilylpentanoate is sourced from PubChem (CID 87514659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).