ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate

C20H33FO2Si — CID 11035574

IUPACethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate
SMILESCCOC(=O)CC/C(F)=C/CC/C(C)=C/CCC#CC[Si](C)(C)C
InChIInChI=1S/C20H33FO2Si/c1-6-23-20(22)16-15-19(21)14-11-13-18(2)12-9-7-8-10-17-24(3,4)5/h12,14H,6-7,9,11,13,15-17H2,1-5H3/b18-12+,19-14-
InChIKeyOATBTRJJJSOYOE-KQPRZUBISA-N
MW352.57 g/mol
LogP6.03
Rot. Bonds10

About ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate

ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate (PubChem CID 11035574) has the molecular formula C20H33FO2Si and a molecular weight of 352.57 g/mol. Its IUPAC name is ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate.

Molecular Properties

Compound Nameethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate
PubChem CID11035574
Molecular FormulaC20H33FO2Si
Molecular Weight352.57 g/mol
Exact Mass352.22
IUPAC Nameethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate
SMILESCCOC(=O)CC/C(F)=C/CC/C(C)=C/CCC#CC[Si](C)(C)C
InChIInChI=1S/C20H33FO2Si/c1-6-23-20(22)16-15-19(21)14-11-13-18(2)12-9-7-8-10-17-24(3,4)5/h12,14H,6-7,9,11,13,15-17H2,1-5H3/b18-12+,19-14-
InChIKeyOATBTRJJJSOYOE-KQPRZUBISA-N
XLogP6.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.03
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'}

Analyze ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-8-methylnon-7-en-2-ynoate
CID 101012127
ethyl (4E,8E,12Z,16Z)-12-fluoro-4,8,13,16,19,19-hexamethyl-23-trimethylsilyltricosa-4,8,12,16-tetraen-21-ynoate
CID 10076088
ethyl (4E,8E,12Z,16E)-12-fluoro-4,8,13,16,19,19-hexamethyl-23-trimethylsilyltricosa-4,8,12,16-tetraen-21-ynoate
CID 10098922
ethyl (4E,8Z,12E)-8-fluoro-4,12-dimethyl-18-trimethylsilyloctadeca-4,8,12-trien-16-ynoate
CID 10982706
Methyl 4-methyl-9-trimethylsilylnon-4-en-8-ynoate
CID 54139194
methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate
CID 88784591
3-trimethylsilylprop-2-ynyl (4E)-2,2,3,5,9-pentamethyldeca-4,8-dienoate
CID 173863216
ethyl (E)-2,2,5-trimethyl-9-trimethylsilylnon-4-en-8-ynoate
CID 10494054
ethyl (E)-4-methyl-10-trimethylsilyldec-4-en-8-ynoate
CID 10636501
ethyl (4E,8E)-4,8-dimethyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate
CID 11792043
ethyl (E)-12-trimethylsilyldodec-4-en-11-ynoate
CID 24795455
methyl (Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynoate
CID 56935250

Frequently Asked Questions

What is the IUPAC name of ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate?
The IUPAC name of ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate (CID 11035574) is ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate.
What is the SMILES notation for ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate?
The canonical SMILES for ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate is CCOC(=O)CC/C(F)=C/CC/C(C)=C/CCC#CC[Si](C)(C)C.
What is the InChIKey of ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate?
The InChIKey is OATBTRJJJSOYOE-KQPRZUBISA-N. The full InChI is InChI=1S/C20H33FO2Si/c1-6-23-20(22)16-15-19(21)14-11-13-18(2)12-9-7-8-10-17-24(3,4)5/h12,14H,6-7,9,11,13,15-17H2,1-5H3/b18-12+,19-14-.
What are the key properties of ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate?
ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate has a molecular weight of 352.57 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4Z,8E)-4-fluoro-8-methyl-14-trimethylsilyltetradeca-4,8-dien-12-ynoate is sourced from PubChem (CID 11035574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).