(2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid

C16H30O3Si — CID 57332983

IUPAC(2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid
SMILESCC[Si](CC)(CC)O[C@H](C)CCC/C=C/C=C\C(=O)O
InChIInChI=1S/C16H30O3Si/c1-5-20(6-2,7-3)19-15(4)13-11-9-8-10-12-14-16(17)18/h8,10,12,14-15H,5-7,9,11,13H2,1-4H3,(H,17,18)/b10-8+,14-12-/t15-/m1/s1
InChIKeyBLQLNCPBKDPDIB-YXIGOLGPSA-N
MW298.50 g/mol
LogP4.76
Rot. Bonds11

About (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid

(2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid (PubChem CID 57332983) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid
PubChem CID57332983
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid
SMILESCC[Si](CC)(CC)O[C@H](C)CCC/C=C/C=C\C(=O)O
InChIInChI=1S/C16H30O3Si/c1-5-20(6-2,7-3)19-15(4)13-11-9-8-10-12-14-16(17)18/h8,10,12,14-15H,5-7,9,11,13H2,1-4H3,(H,17,18)/b10-8+,14-12-/t15-/m1/s1
InChIKeyBLQLNCPBKDPDIB-YXIGOLGPSA-N
XLogP4.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid?
The IUPAC name of (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid (CID 57332983) is (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid?
The canonical SMILES for (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid is CC[Si](CC)(CC)O[C@H](C)CCC/C=C/C=C\C(=O)O.
What is the InChIKey of (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid?
The InChIKey is BLQLNCPBKDPDIB-YXIGOLGPSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-5-20(6-2,7-3)19-15(4)13-11-9-8-10-12-14-16(17)18/h8,10,12,14-15H,5-7,9,11,13H2,1-4H3,(H,17,18)/b10-8+,14-12-/t15-/m1/s1.
What are the key properties of (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid?
(2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid has a molecular weight of 298.50 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,9R)-9-triethylsilyloxydeca-2,4-dienoic acid is sourced from PubChem (CID 57332983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).