dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate

C17H30O5Si — CID 11522999

IUPACdimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate
SMILESCC[Si](CC)(CC)OC(C/C=C/C(=O)OC)C/C=C/C(=O)OC
InChIInChI=1S/C17H30O5Si/c1-6-23(7-2,8-3)22-15(11-9-13-16(18)20-4)12-10-14-17(19)21-5/h9-10,13-15H,6-8,11-12H2,1-5H3/b13-9+,14-10+
InChIKeyRJRVKPMRUBHXQF-UTLPMFLDSA-N
MW342.51 g/mol
LogP3.62
Rot. Bonds11

About dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate

dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate (PubChem CID 11522999) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate.

Molecular Properties

Compound Namedimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate
PubChem CID11522999
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Namedimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate
SMILESCC[Si](CC)(CC)OC(C/C=C/C(=O)OC)C/C=C/C(=O)OC
InChIInChI=1S/C17H30O5Si/c1-6-23(7-2,8-3)22-15(11-9-13-16(18)20-4)12-10-14-17(19)21-5/h9-10,13-15H,6-8,11-12H2,1-5H3/b13-9+,14-10+
InChIKeyRJRVKPMRUBHXQF-UTLPMFLDSA-N
XLogP3.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate?
The IUPAC name of dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate (CID 11522999) is dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate.
What is the SMILES notation for dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate?
The canonical SMILES for dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate is CC[Si](CC)(CC)OC(C/C=C/C(=O)OC)C/C=C/C(=O)OC.
What is the InChIKey of dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate?
The InChIKey is RJRVKPMRUBHXQF-UTLPMFLDSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-6-23(7-2,8-3)22-15(11-9-13-16(18)20-4)12-10-14-17(19)21-5/h9-10,13-15H,6-8,11-12H2,1-5H3/b13-9+,14-10+.
What are the key properties of dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate?
dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate has a molecular weight of 342.51 g/mol, XLogP of 3.62, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2E,7E)-5-triethylsilyloxynona-2,7-dienedioate is sourced from PubChem (CID 11522999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).