[(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate

C24H46O5Si — CID 11123112

About [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate

[(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate (PubChem CID 11123112) has the molecular formula C24H46O5Si and a molecular weight of 442.71 g/mol. Its IUPAC name is [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate.

Molecular Properties

• Compound Name: [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate
• PubChem CID: 11123112
• Molecular Formula: C24H46O5Si
• Molecular Weight: 442.71 g/mol
• Exact Mass: 442.31
• IUPAC Name: [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate
• SMILES: CO[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@H](/C=C/C=C/CCC[C@@H](C)OC(C)=O)OC
• InChI: InChI=1S/C24H46O5Si/c1-20(29-21(2)25)15-13-11-10-12-14-16-22(26-6)19-23(27-7)17-18-28-30(8,9)24(3,4)5/h10,12,14,16,20,22-23H,11,13,15,17-19H2,1-9H3/b12-10+,16-14+/t20-,22+,23+/m1/s1
• InChIKey: BDFGMNYYBKYHKO-ITHKTJFNSA-N
• XLogP: 6.05
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.71
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate?

The IUPAC name of [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate (CID 11123112) is [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate.

What is the SMILES notation for [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate?

The canonical SMILES for [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate is CO[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@H](/C=C/C=C/CCC[C@@H](C)OC(C)=O)OC.

What is the InChIKey of [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate?

The InChIKey is BDFGMNYYBKYHKO-ITHKTJFNSA-N. The full InChI is InChI=1S/C24H46O5Si/c1-20(29-21(2)25)15-13-11-10-12-14-16-22(26-6)19-23(27-7)17-18-28-30(8,9)24(3,4)5/h10,12,14,16,20,22-23H,11,13,15,17-19H2,1-9H3/b12-10+,16-14+/t20-,22+,23+/m1/s1.

What are the key properties of [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate?

[(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate has a molecular weight of 442.71 g/mol, XLogP of 6.05, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate is sourced from PubChem (CID 11123112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).