ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate

C14H24O2Si — CID 10988784

IUPACethyl (E)-9-trimethylsilylnon-2-en-8-ynoate
SMILESCCOC(=O)/C=C/CCCCC#C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-5-16-14(15)12-10-8-6-7-9-11-13-17(2,3)4/h10,12H,5-9H2,1-4H3/b12-10+
InChIKeyNVIHJKWAWWGDEN-ZRDIBKRKSA-N
MW252.43 g/mol
LogP3.55
Rot. Bonds6

About ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate

ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate (PubChem CID 10988784) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate.

Molecular Properties

Compound Nameethyl (E)-9-trimethylsilylnon-2-en-8-ynoate
PubChem CID10988784
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Nameethyl (E)-9-trimethylsilylnon-2-en-8-ynoate
SMILESCCOC(=O)/C=C/CCCCC#C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-5-16-14(15)12-10-8-6-7-9-11-13-17(2,3)4/h10,12H,5-9H2,1-4H3/b12-10+
InChIKeyNVIHJKWAWWGDEN-ZRDIBKRKSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.55
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate?
The IUPAC name of ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate (CID 10988784) is ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate.
What is the SMILES notation for ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate?
The canonical SMILES for ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate is CCOC(=O)/C=C/CCCCC#C[Si](C)(C)C.
What is the InChIKey of ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate?
The InChIKey is NVIHJKWAWWGDEN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-5-16-14(15)12-10-8-6-7-9-11-13-17(2,3)4/h10,12H,5-9H2,1-4H3/b12-10+.
What are the key properties of ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate?
ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate has a molecular weight of 252.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate is sourced from PubChem (CID 10988784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).