[tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate

C34H60O3Si2 — CID 59372888

IUPAC[tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate
SMILESCC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H60O3Si2/c1-12-13-25-28-31(36-38(8,9)33(2,3)4)29-26-23-21-19-17-15-14-16-18-20-22-24-27-30-32(35)37-39(10,11)34(5,6)7/h13,15-18,21-26,29,31H,12,14,19-20,27-28,30H2,1-11H3/b17-15-,18-16-,23-21-,24-22-,25-13-,29-26+/t31-/m0/s1
InChIKeyQQPFSODZBSQWFO-XEOJQUOWSA-N
MW573.02 g/mol
LogP11.01
Rot. Bonds17

About [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate

[tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate (PubChem CID 59372888) has the molecular formula C34H60O3Si2 and a molecular weight of 573.02 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate
PubChem CID59372888
Molecular FormulaC34H60O3Si2
Molecular Weight573.02 g/mol
Exact Mass572.41
IUPAC Name[tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate
SMILESCC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H60O3Si2/c1-12-13-25-28-31(36-38(8,9)33(2,3)4)29-26-23-21-19-17-15-14-16-18-20-22-24-27-30-32(35)37-39(10,11)34(5,6)7/h13,15-18,21-26,29,31H,12,14,19-20,27-28,30H2,1-11H3/b17-15-,18-16-,23-21-,24-22-,25-13-,29-26+/t31-/m0/s1
InChIKeyQQPFSODZBSQWFO-XEOJQUOWSA-N
XLogP11.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.02
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate (CID 59372888) is [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate is CC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate?
The InChIKey is QQPFSODZBSQWFO-XEOJQUOWSA-N. The full InChI is InChI=1S/C34H60O3Si2/c1-12-13-25-28-31(36-38(8,9)33(2,3)4)29-26-23-21-19-17-15-14-16-18-20-22-24-27-30-32(35)37-39(10,11)34(5,6)7/h13,15-18,21-26,29,31H,12,14,19-20,27-28,30H2,1-11H3/b17-15-,18-16-,23-21-,24-22-,25-13-,29-26+/t31-/m0/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate?
[tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate has a molecular weight of 573.02 g/mol, XLogP of 11.01, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-[tert-butyl(dimethyl)silyl]oxydocosa-4,7,10,13,15,19-hexaenoate is sourced from PubChem (CID 59372888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).