methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate

C27H52O4Si2 — CID 91738906

IUPACmethyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate
SMILESCCCCC/C=C\C/C=C\CC(O[Si](C)(C)C)C(C/C=C\CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C27H52O4Si2/c1-9-10-11-12-13-14-15-16-19-22-25(30-32(3,4)5)26(31-33(6,7)8)23-20-17-18-21-24-27(28)29-2/h13-14,16-17,19-20,25-26H,9-12,15,18,21-24H2,1-8H3/b14-13-,19-16-,20-17-
InChIKeyYVJVHPWRTFEYFB-AMLJQUHPSA-N
MW496.88 g/mol
LogP8.19
Rot. Bonds19

About methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate

methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate (PubChem CID 91738906) has the molecular formula C27H52O4Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate.

Molecular Properties

Compound Namemethyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate
PubChem CID91738906
Molecular FormulaC27H52O4Si2
Molecular Weight496.88 g/mol
Exact Mass496.34
IUPAC Namemethyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate
SMILESCCCCC/C=C\C/C=C\CC(O[Si](C)(C)C)C(C/C=C\CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C27H52O4Si2/c1-9-10-11-12-13-14-15-16-19-22-25(30-32(3,4)5)26(31-33(6,7)8)23-20-17-18-21-24-27(28)29-2/h13-14,16-17,19-20,25-26H,9-12,15,18,21-24H2,1-8H3/b14-13-,19-16-,20-17-
InChIKeyYVJVHPWRTFEYFB-AMLJQUHPSA-N
XLogP8.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate with MolForge

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Related Compounds

methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate;hydrochloride
CID 162316575
methyl icosa-8,11,14-trienoate
CID 519411
methyl octadeca-6,9-dienoate
CID 549027
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl (13Z,16E)-docosa-13,16-dienoate
CID 53249651
methyl (Z)-undec-5-enoate
CID 11469683
methyl (9E,12E)-octadeca-9,12-dienoate;methyl (9E,12E,15E)-octadeca-9,12,15-trienoate;methyl (E)-octadec-9-enoate
CID 159619579
methyl (7Z,11Z,14Z)-icosa-7,11,14-trienoate
CID 91694374
trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 5366427
methyl (4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z)-tetratriaconta-4,7,10,13,16,19,22,25,28-nonaenoate
CID 10255583
methyl dodec-5-enoate
CID 86010951

Frequently Asked Questions

What is the IUPAC name of methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate?
The IUPAC name of methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate (CID 91738906) is methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate.
What is the SMILES notation for methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate?
The canonical SMILES for methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate is CCCCC/C=C\C/C=C\CC(O[Si](C)(C)C)C(C/C=C\CCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate?
The InChIKey is YVJVHPWRTFEYFB-AMLJQUHPSA-N. The full InChI is InChI=1S/C27H52O4Si2/c1-9-10-11-12-13-14-15-16-19-22-25(30-32(3,4)5)26(31-33(6,7)8)23-20-17-18-21-24-27(28)29-2/h13-14,16-17,19-20,25-26H,9-12,15,18,21-24H2,1-8H3/b14-13-,19-16-,20-17-.
What are the key properties of methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate?
methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate has a molecular weight of 496.88 g/mol, XLogP of 8.19, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z,11Z,14Z)-8,9-bis(trimethylsilyloxy)icosa-5,11,14-trienoate is sourced from PubChem (CID 91738906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).