methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate

C19H36O2Si — CID 11393179

IUPACmethyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate
SMILESCCCC/C(=C\[Si](CC)(CC)CC)C/C=C/CCC(=O)OC
InChIInChI=1S/C19H36O2Si/c1-6-10-14-18(17-22(7-2,8-3)9-4)15-12-11-13-16-19(20)21-5/h11-12,17H,6-10,13-16H2,1-5H3/b12-11+,18-17+
InChIKeyQJPYXHSTGGAQNL-WCPGOBTASA-N
MW324.58 g/mol
LogP6.05
Rot. Bonds12

About methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate

methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate (PubChem CID 11393179) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate.

Molecular Properties

Compound Namemethyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate
PubChem CID11393179
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Namemethyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate
SMILESCCCC/C(=C\[Si](CC)(CC)CC)C/C=C/CCC(=O)OC
InChIInChI=1S/C19H36O2Si/c1-6-10-14-18(17-22(7-2,8-3)9-4)15-12-11-13-16-19(20)21-5/h11-12,17H,6-10,13-16H2,1-5H3/b12-11+,18-17+
InChIKeyQJPYXHSTGGAQNL-WCPGOBTASA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-11-Octadecadienoic acid methyl ester
CID 129664174
Arachidonic acid, TBDMS
CID 6428868
cis-4,7,10,13,16,19-Docosahexaenoic acid, tert-butyldimethylsilyl ester
CID 91697182
cis-5,8,11-Eicosatrienoic acid, tert-butyldimethylsilyl ester
CID 91697195
7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid, tert-butyldimethylsilyl ester
CID 91697376
cis-5-Dodecenoic acid, tert-butyldimethylsilyl ester
CID 91738891
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate
CID 11449703
methyl (Z)-3-ethenyl-2-trimethylsilyltridec-3-enoate
CID 71578405
methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate
CID 71578822
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
CID 102203794
methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate
CID 102203795

Frequently Asked Questions

What is the IUPAC name of methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate?
The IUPAC name of methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate (CID 11393179) is methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate.
What is the SMILES notation for methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate?
The canonical SMILES for methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate is CCCC/C(=C\[Si](CC)(CC)CC)C/C=C/CCC(=O)OC.
What is the InChIKey of methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate?
The InChIKey is QJPYXHSTGGAQNL-WCPGOBTASA-N. The full InChI is InChI=1S/C19H36O2Si/c1-6-10-14-18(17-22(7-2,8-3)9-4)15-12-11-13-16-19(20)21-5/h11-12,17H,6-10,13-16H2,1-5H3/b12-11+,18-17+.
What are the key properties of methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate?
methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate has a molecular weight of 324.58 g/mol, XLogP of 6.05, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate is sourced from PubChem (CID 11393179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).