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

C17H32O4Si — CID 134813826

IUPAC[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate
SMILESCCCC/C=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-9-10-12-15(13-11-14-20-16(18)19-5)21-22(6,7)17(2,3)4/h11-13H,8-10,14H2,1-7H3/b13-11+,15-12-
InChIKeyFRTWTGHWATWHBN-DZIWGARNSA-N
MW328.53 g/mol
LogP5.42
Rot. Bonds8

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

[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate (PubChem CID 134813826) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate
PubChem CID134813826
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate
SMILESCCCC/C=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-9-10-12-15(13-11-14-20-16(18)19-5)21-22(6,7)17(2,3)4/h11-13H,8-10,14H2,1-7H3/b13-11+,15-12-
InChIKeyFRTWTGHWATWHBN-DZIWGARNSA-N
XLogP5.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.42
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]oxynona-2,4-dienyl] methyl carbonate?
The IUPAC name of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate (CID 134813826) is [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate.
What is the SMILES notation for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate?
The canonical SMILES for [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate is CCCC/C=C(/C=C/COC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate?
The InChIKey is FRTWTGHWATWHBN-DZIWGARNSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-9-10-12-15(13-11-14-20-16(18)19-5)21-22(6,7)17(2,3)4/h11-13H,8-10,14H2,1-7H3/b13-11+,15-12-.
What are the key properties of [(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate?
[(2E,4Z)-4-[tert-butyl(dimethyl)silyl]oxynona-2,4-dienyl] methyl carbonate has a molecular weight of 328.53 g/mol, XLogP of 5.42, 8 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]oxynona-2,4-dienyl] methyl carbonate is sourced from PubChem (CID 134813826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).