(4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid

C14H28O4Si2 — CID 177484767

IUPAC(4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid
SMILESC/C=C(\C=C(/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si2/c1-8-12(17-19(2,3)4)11-13(9-10-14(15)16)18-20(5,6)7/h8,11H,9-10H2,1-7H3,(H,15,16)/b12-8+,13-11+
InChIKeyUSDNPLQRTMZNQE-UHSWXSRBSA-N
MW316.55 g/mol
LogP4.34
Rot. Bonds8

About (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid

(4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid (PubChem CID 177484767) has the molecular formula C14H28O4Si2 and a molecular weight of 316.55 g/mol. Its IUPAC name is (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid.

Molecular Properties

Compound Name(4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid
PubChem CID177484767
Molecular FormulaC14H28O4Si2
Molecular Weight316.55 g/mol
Exact Mass316.15
IUPAC Name(4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid
SMILESC/C=C(\C=C(/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si2/c1-8-12(17-19(2,3)4)11-13(9-10-14(15)16)18-20(5,6)7/h8,11H,9-10H2,1-7H3,(H,15,16)/b12-8+,13-11+
InChIKeyUSDNPLQRTMZNQE-UHSWXSRBSA-N
XLogP4.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid?
The IUPAC name of (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid (CID 177484767) is (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid.
What is the SMILES notation for (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid?
The canonical SMILES for (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid is C/C=C(\C=C(/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid?
The InChIKey is USDNPLQRTMZNQE-UHSWXSRBSA-N. The full InChI is InChI=1S/C14H28O4Si2/c1-8-12(17-19(2,3)4)11-13(9-10-14(15)16)18-20(5,6)7/h8,11H,9-10H2,1-7H3,(H,15,16)/b12-8+,13-11+.
What are the key properties of (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid?
(4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid has a molecular weight of 316.55 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid is sourced from PubChem (CID 177484767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).