methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate

C25H46O3Si — CID 23239386

IUPACmethyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate
SMILESCC/C=C\C/C=C/C(/C=C\CCCCCCCC(=O)OC)O[Si](CC)(CC)CC
InChIInChI=1S/C25H46O3Si/c1-6-10-11-15-18-21-24(28-29(7-2,8-3)9-4)22-19-16-13-12-14-17-20-23-25(26)27-5/h10-11,18-19,21-22,24H,6-9,12-17,20,23H2,1-5H3/b11-10-,21-18+,22-19-
InChIKeyUSNDFOTXPPNGAW-LASTYGKBSA-N
MW422.73 g/mol
LogP7.75
Rot. Bonds18

About methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate

methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate (PubChem CID 23239386) has the molecular formula C25H46O3Si and a molecular weight of 422.73 g/mol. Its IUPAC name is methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate.

Molecular Properties

Compound Namemethyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate
PubChem CID23239386
Molecular FormulaC25H46O3Si
Molecular Weight422.73 g/mol
Exact Mass422.32
IUPAC Namemethyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate
SMILESCC/C=C\C/C=C/C(/C=C\CCCCCCCC(=O)OC)O[Si](CC)(CC)CC
InChIInChI=1S/C25H46O3Si/c1-6-10-11-15-18-21-24(28-29(7-2,8-3)9-4)22-19-16-13-12-14-17-20-23-25(26)27-5/h10-11,18-19,21-22,24H,6-9,12-17,20,23H2,1-5H3/b11-10-,21-18+,22-19-
InChIKeyUSNDFOTXPPNGAW-LASTYGKBSA-N
XLogP7.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.73
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
methyl dodeca-6,9-dienoate
CID 123311078
methyl (9E,12E)-octadeca-9,12-dienoate;methyl (9E,12E,15E)-octadeca-9,12,15-trienoate;methyl (E)-octadec-9-enoate
CID 159619579
methyl (Z)-octadec-15-enoate
CID 12963319
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
methyl (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310865
methyl (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxytetratriaconta-16,19,22,25,27,31-hexaenoate
CID 153310868
methyl octadecanoate;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
CID 88695330
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl hexadeca-9,12-dienoate
CID 549033
methyl icosa-8,11,14-trienoate
CID 519411

Frequently Asked Questions

What is the IUPAC name of methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate?
The IUPAC name of methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate (CID 23239386) is methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate.
What is the SMILES notation for methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate?
The canonical SMILES for methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate is CC/C=C\C/C=C/C(/C=C\CCCCCCCC(=O)OC)O[Si](CC)(CC)CC.
What is the InChIKey of methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate?
The InChIKey is USNDFOTXPPNGAW-LASTYGKBSA-N. The full InChI is InChI=1S/C25H46O3Si/c1-6-10-11-15-18-21-24(28-29(7-2,8-3)9-4)22-19-16-13-12-14-17-20-23-25(26)27-5/h10-11,18-19,21-22,24H,6-9,12-17,20,23H2,1-5H3/b11-10-,21-18+,22-19-.
What are the key properties of methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate?
methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate has a molecular weight of 422.73 g/mol, XLogP of 7.75, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate is sourced from PubChem (CID 23239386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).