trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate

C16H34O4Si3 — CID 91739050

IUPACtrimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate
SMILESC/C(=C/C(=C\CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H34O4Si3/c1-14(18-21(2,3)4)13-15(19-22(5,6)7)11-12-16(17)20-23(8,9)10/h11,13H,12H2,1-10H3/b14-13-,15-11+
InChIKeyNMJRVQYMBNOWPQ-YZIFZZMGSA-N
MW374.70 g/mol
LogP5.25
Rot. Bonds8

About trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate

trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate (PubChem CID 91739050) has the molecular formula C16H34O4Si3 and a molecular weight of 374.70 g/mol. Its IUPAC name is trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate
PubChem CID91739050
Molecular FormulaC16H34O4Si3
Molecular Weight374.70 g/mol
Exact Mass374.18
IUPAC Nametrimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate
SMILESC/C(=C/C(=C\CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H34O4Si3/c1-14(18-21(2,3)4)13-15(19-22(5,6)7)11-12-16(17)20-23(8,9)10/h11,13H,12H2,1-10H3/b14-13-,15-11+
InChIKeyNMJRVQYMBNOWPQ-YZIFZZMGSA-N
XLogP5.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.70
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate?
The IUPAC name of trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate (CID 91739050) is trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate.
What is the SMILES notation for trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate?
The canonical SMILES for trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate is C/C(=C/C(=C\CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate?
The InChIKey is NMJRVQYMBNOWPQ-YZIFZZMGSA-N. The full InChI is InChI=1S/C16H34O4Si3/c1-14(18-21(2,3)4)13-15(19-22(5,6)7)11-12-16(17)20-23(8,9)10/h11,13H,12H2,1-10H3/b14-13-,15-11+.
What are the key properties of trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate?
trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate has a molecular weight of 374.70 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (3E,5Z)-4,6-bis(trimethylsilyloxy)hepta-3,5-dienoate is sourced from PubChem (CID 91739050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).