ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate

C17H30O2Si — CID 24795455

IUPACethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate
SMILESCCOC(=O)CC/C=C/CCCCCC#C[Si](C)(C)C
InChIInChI=1S/C17H30O2Si/c1-5-19-17(18)15-13-11-9-7-6-8-10-12-14-16-20(2,3)4/h9,11H,5-8,10,12-13,15H2,1-4H3/b11-9+
InChIKeySLVIUICBTBWQEF-PKNBQFBNSA-N
MW294.51 g/mol
LogP4.72
Rot. Bonds9

About ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate

ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate (PubChem CID 24795455) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate.

Molecular Properties

Compound Nameethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate
PubChem CID24795455
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Nameethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate
SMILESCCOC(=O)CC/C=C/CCCCCC#C[Si](C)(C)C
InChIInChI=1S/C17H30O2Si/c1-5-19-17(18)15-13-11-9-7-6-8-10-12-14-16-20(2,3)4/h9,11H,5-8,10,12-13,15H2,1-4H3/b11-9+
InChIKeySLVIUICBTBWQEF-PKNBQFBNSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.72
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': 'isolated_alkene', '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)-12-trimethylsilyldodec-4-en-11-ynoate?
The IUPAC name of ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate (CID 24795455) is ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate.
What is the SMILES notation for ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate?
The canonical SMILES for ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate is CCOC(=O)CC/C=C/CCCCCC#C[Si](C)(C)C.
What is the InChIKey of ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate?
The InChIKey is SLVIUICBTBWQEF-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-5-19-17(18)15-13-11-9-7-6-8-10-12-14-16-20(2,3)4/h9,11H,5-8,10,12-13,15H2,1-4H3/b11-9+.
What are the key properties of ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate?
ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate has a molecular weight of 294.51 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate is sourced from PubChem (CID 24795455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).