[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate

C15H28O4Si — CID 11483443

IUPAC[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-13-11-9-7-8-10-12-18-14(16)17-4/h7-10H,11-13H2,1-6H3/b9-7+,10-8+
InChIKeyDUISWUFZQJPUNT-FIFLTTCUSA-N
MW300.47 g/mol
LogP4.29
Rot. Bonds7

About [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate

[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate (PubChem CID 11483443) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate
PubChem CID11483443
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-13-11-9-7-8-10-12-18-14(16)17-4/h7-10H,11-13H2,1-6H3/b9-7+,10-8+
InChIKeyDUISWUFZQJPUNT-FIFLTTCUSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.29
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate?
The IUPAC name of [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate (CID 11483443) is [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate.
What is the SMILES notation for [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate?
The canonical SMILES for [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate is COC(=O)OC/C=C/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate?
The InChIKey is DUISWUFZQJPUNT-FIFLTTCUSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-13-11-9-7-8-10-12-18-14(16)17-4/h7-10H,11-13H2,1-6H3/b9-7+,10-8+.
What are the key properties of [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate?
[(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate has a molecular weight of 300.47 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienyl] methyl carbonate is sourced from PubChem (CID 11483443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).