ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate

C15H28O3Si — CID 10085303

IUPACethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCC=O)C[Si](C)(C)C
InChIInChI=1S/C15H28O3Si/c1-5-18-15(17)14(13-19(2,3)4)11-9-7-6-8-10-12-16/h11-12H,5-10,13H2,1-4H3/b14-11+
InChIKeyXXBMEOACKUINOJ-SDNWHVSQSA-N
MW284.47 g/mol
LogP3.96
Rot. Bonds10

About ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate

ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate (PubChem CID 10085303) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate
PubChem CID10085303
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCC=O)C[Si](C)(C)C
InChIInChI=1S/C15H28O3Si/c1-5-18-15(17)14(13-19(2,3)4)11-9-7-6-8-10-12-16/h11-12H,5-10,13H2,1-4H3/b14-11+
InChIKeyXXBMEOACKUINOJ-SDNWHVSQSA-N
XLogP3.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate?
The IUPAC name of ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate (CID 10085303) is ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate.
What is the SMILES notation for ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate?
The canonical SMILES for ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate is CCOC(=O)/C(=C/CCCCCC=O)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate?
The InChIKey is XXBMEOACKUINOJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-5-18-15(17)14(13-19(2,3)4)11-9-7-6-8-10-12-16/h11-12H,5-10,13H2,1-4H3/b14-11+.
What are the key properties of ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate?
ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate has a molecular weight of 284.47 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate is sourced from PubChem (CID 10085303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).