ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate

C30H42O3Si — CID 10528670

IUPACethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate
SMILESCCCCC/C=C\C[C@@H](/C=C/C(=O)OCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42O3Si/c1-6-8-9-10-11-14-19-26(24-25-29(31)32-7-2)33-34(30(3,4)5,27-20-15-12-16-21-27)28-22-17-13-18-23-28/h11-18,20-26H,6-10,19H2,1-5H3/b14-11-,25-24+/t26-/m0/s1
InChIKeyAEYXFYYZLUYNCF-XUDJRMPMSA-N
MW478.75 g/mol
LogP6.58
Rot. Bonds13

About ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate

ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate (PubChem CID 10528670) has the molecular formula C30H42O3Si and a molecular weight of 478.75 g/mol. Its IUPAC name is ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate.

Molecular Properties

Compound Nameethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate
PubChem CID10528670
Molecular FormulaC30H42O3Si
Molecular Weight478.75 g/mol
Exact Mass478.29
IUPAC Nameethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate
SMILESCCCCC/C=C\C[C@@H](/C=C/C(=O)OCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42O3Si/c1-6-8-9-10-11-14-19-26(24-25-29(31)32-7-2)33-34(30(3,4)5,27-20-15-12-16-21-27)28-22-17-13-18-23-28/h11-18,20-26H,6-10,19H2,1-5H3/b14-11-,25-24+/t26-/m0/s1
InChIKeyAEYXFYYZLUYNCF-XUDJRMPMSA-N
XLogP6.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 56.58
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate?
The IUPAC name of ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate (CID 10528670) is ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate.
What is the SMILES notation for ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate?
The canonical SMILES for ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate is CCCCC/C=C\C[C@@H](/C=C/C(=O)OCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate?
The InChIKey is AEYXFYYZLUYNCF-XUDJRMPMSA-N. The full InChI is InChI=1S/C30H42O3Si/c1-6-8-9-10-11-14-19-26(24-25-29(31)32-7-2)33-34(30(3,4)5,27-20-15-12-16-21-27)28-22-17-13-18-23-28/h11-18,20-26H,6-10,19H2,1-5H3/b14-11-,25-24+/t26-/m0/s1.
What are the key properties of ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate?
ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate has a molecular weight of 478.75 g/mol, XLogP of 6.58, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxydodeca-2,6-dienoate is sourced from PubChem (CID 10528670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).