[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate

C17H31FO4Si — CID 134813870

IUPAC[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=C/CCCCF)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31FO4Si/c1-17(2,3)23(5,6)22-15(11-8-7-9-13-18)12-10-14-21-16(19)20-4/h10-12H,7-9,13-14H2,1-6H3/b12-10+,15-11-
InChIKeyBFORGCJBKAUCPE-NJFTWXLASA-N
MW346.52 g/mol
LogP5.37
Rot. Bonds9

About [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate

[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate (PubChem CID 134813870) has the molecular formula C17H31FO4Si and a molecular weight of 346.52 g/mol. Its IUPAC name is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate
PubChem CID134813870
Molecular FormulaC17H31FO4Si
Molecular Weight346.52 g/mol
Exact Mass346.20
IUPAC Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C(=C/CCCCF)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31FO4Si/c1-17(2,3)23(5,6)22-15(11-8-7-9-13-18)12-10-14-21-16(19)20-4/h10-12H,7-9,13-14H2,1-6H3/b12-10+,15-11-
InChIKeyBFORGCJBKAUCPE-NJFTWXLASA-N
XLogP5.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate?
The IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate (CID 134813870) is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate.
What is the SMILES notation for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate?
The canonical SMILES for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate is COC(=O)OC/C=C/C(=C/CCCCF)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate?
The InChIKey is BFORGCJBKAUCPE-NJFTWXLASA-N. The full InChI is InChI=1S/C17H31FO4Si/c1-17(2,3)23(5,6)22-15(11-8-7-9-13-18)12-10-14-21-16(19)20-4/h10-12H,7-9,13-14H2,1-6H3/b12-10+,15-11-.
What are the key properties of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate?
[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate has a molecular weight of 346.52 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-9-fluoronona-2,4-dienyl] methyl carbonate is sourced from PubChem (CID 134813870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).