ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate

C19H36O3Si — CID 10958776

IUPACethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate
SMILESCC/C=C/C(O[Si](CC)(CC)CC)C(C)/C=C(\C)C(=O)OCC
InChIInChI=1S/C19H36O3Si/c1-8-13-14-18(22-23(10-3,11-4)12-5)16(6)15-17(7)19(20)21-9-2/h13-16,18H,8-12H2,1-7H3/b14-13+,17-15+
InChIKeyXYLGNCQSULVSQB-SEKSTKPOSA-N
MW340.58 g/mol
LogP5.49
Rot. Bonds11

About ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate

ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate (PubChem CID 10958776) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate.

Molecular Properties

Compound Nameethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate
PubChem CID10958776
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nameethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate
SMILESCC/C=C/C(O[Si](CC)(CC)CC)C(C)/C=C(\C)C(=O)OCC
InChIInChI=1S/C19H36O3Si/c1-8-13-14-18(22-23(10-3,11-4)12-5)16(6)15-17(7)19(20)21-9-2/h13-16,18H,8-12H2,1-7H3/b14-13+,17-15+
InChIKeyXYLGNCQSULVSQB-SEKSTKPOSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate?
The IUPAC name of ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate (CID 10958776) is ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate.
What is the SMILES notation for ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate?
The canonical SMILES for ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate is CC/C=C/C(O[Si](CC)(CC)CC)C(C)/C=C(\C)C(=O)OCC.
What is the InChIKey of ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate?
The InChIKey is XYLGNCQSULVSQB-SEKSTKPOSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-8-13-14-18(22-23(10-3,11-4)12-5)16(6)15-17(7)19(20)21-9-2/h13-16,18H,8-12H2,1-7H3/b14-13+,17-15+.
What are the key properties of ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate?
ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate has a molecular weight of 340.58 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,6E)-2,4-dimethyl-5-triethylsilyloxynona-2,6-dienoate is sourced from PubChem (CID 10958776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).