ethyl (E)-9-triethylsilylnon-8-enoate

C17H34O2Si — CID 12996061

IUPACethyl (E)-9-triethylsilylnon-8-enoate
SMILESCCOC(=O)CCCCCC/C=C/[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-5-19-17(18)15-13-11-9-10-12-14-16-20(6-2,7-3)8-4/h14,16H,5-13,15H2,1-4H3/b16-14+
InChIKeyQXCXNNQFUPYPOR-JQIJEIRASA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds12

About ethyl (E)-9-triethylsilylnon-8-enoate

ethyl (E)-9-triethylsilylnon-8-enoate (PubChem CID 12996061) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is ethyl (E)-9-triethylsilylnon-8-enoate.

Molecular Properties

Compound Nameethyl (E)-9-triethylsilylnon-8-enoate
PubChem CID12996061
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Nameethyl (E)-9-triethylsilylnon-8-enoate
SMILESCCOC(=O)CCCCCC/C=C/[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-5-19-17(18)15-13-11-9-10-12-14-16-20(6-2,7-3)8-4/h14,16H,5-13,15H2,1-4H3/b16-14+
InChIKeyQXCXNNQFUPYPOR-JQIJEIRASA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-11-iodoundec-10-enoate
CID 100951018
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate
CID 100918359
CID 175771564
CID 175771564
ethyl octadeca-9,11-dienoate
CID 71333061
diethyl icosanedioate
CID 5058538
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
ethyl (E)-9,9-dimethyldec-7-enoate
CID 102355070
ethyl 18-octadecanoyloxyoctadec-9-enoate
CID 85380657
ethyl octadec-9-enoate;octadec-9-enoic acid
CID 173380169
ethyl (Z)-octadec-9-enoate;(Z)-octadec-9-enoic acid
CID 135354246

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-9-triethylsilylnon-8-enoate?
The IUPAC name of ethyl (E)-9-triethylsilylnon-8-enoate (CID 12996061) is ethyl (E)-9-triethylsilylnon-8-enoate.
What is the SMILES notation for ethyl (E)-9-triethylsilylnon-8-enoate?
The canonical SMILES for ethyl (E)-9-triethylsilylnon-8-enoate is CCOC(=O)CCCCCC/C=C/[Si](CC)(CC)CC.
What is the InChIKey of ethyl (E)-9-triethylsilylnon-8-enoate?
The InChIKey is QXCXNNQFUPYPOR-JQIJEIRASA-N. The full InChI is InChI=1S/C17H34O2Si/c1-5-19-17(18)15-13-11-9-10-12-14-16-20(6-2,7-3)8-4/h14,16H,5-13,15H2,1-4H3/b16-14+.
What are the key properties of ethyl (E)-9-triethylsilylnon-8-enoate?
ethyl (E)-9-triethylsilylnon-8-enoate has a molecular weight of 298.54 g/mol, XLogP of 5.49, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-9-triethylsilylnon-8-enoate is sourced from PubChem (CID 12996061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).