ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate

C16H28O2Si — CID 10636501

IUPACethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate
SMILESCCOC(=O)CC/C(C)=C/CCC#CC[Si](C)(C)C
InChIInChI=1S/C16H28O2Si/c1-6-18-16(17)13-12-15(2)11-9-7-8-10-14-19(3,4)5/h11H,6-7,9,12-14H2,1-5H3/b15-11+
InChIKeyIIJBJJIPRQYCHR-RVDMUPIBSA-N
MW280.48 g/mol
LogP4.40
Rot. Bonds7

About ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate

ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate (PubChem CID 10636501) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate.

Molecular Properties

Compound Nameethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate
PubChem CID10636501
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nameethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate
SMILESCCOC(=O)CC/C(C)=C/CCC#CC[Si](C)(C)C
InChIInChI=1S/C16H28O2Si/c1-6-18-16(17)13-12-15(2)11-9-7-8-10-14-19(3,4)5/h11H,6-7,9,12-14H2,1-5H3/b15-11+
InChIKeyIIJBJJIPRQYCHR-RVDMUPIBSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.40
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)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate?
The IUPAC name of ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate (CID 10636501) is ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate.
What is the SMILES notation for ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate?
The canonical SMILES for ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate is CCOC(=O)CC/C(C)=C/CCC#CC[Si](C)(C)C.
What is the InChIKey of ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate?
The InChIKey is IIJBJJIPRQYCHR-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-6-18-16(17)13-12-15(2)11-9-7-8-10-14-19(3,4)5/h11H,6-7,9,12-14H2,1-5H3/b15-11+.
What are the key properties of ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate?
ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate has a molecular weight of 280.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate is sourced from PubChem (CID 10636501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).