2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate

C18H33BO4Si — CID 11245095

IUPAC2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate
SMILESCC(=C\B1OC(C)(C)C(C)(C)O1)/C=C(\C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H33BO4Si/c1-14(13-19-22-17(3,4)18(5,6)23-19)12-15(2)16(20)21-10-11-24(7,8)9/h12-13H,10-11H2,1-9H3/b14-13+,15-12+
InChIKeyFADHMNHZHPDRIP-RCQWFYMDSA-N
MW352.36 g/mol
LogP4.39
Rot. Bonds6

About 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate

2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate (PubChem CID 11245095) has the molecular formula C18H33BO4Si and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate
PubChem CID11245095
Molecular FormulaC18H33BO4Si
Molecular Weight352.36 g/mol
Exact Mass352.22
IUPAC Name2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate
SMILESCC(=C\B1OC(C)(C)C(C)(C)O1)/C=C(\C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H33BO4Si/c1-14(13-19-22-17(3,4)18(5,6)23-19)12-15(2)16(20)21-10-11-24(7,8)9/h12-13H,10-11H2,1-9H3/b14-13+,15-12+
InChIKeyFADHMNHZHPDRIP-RCQWFYMDSA-N
XLogP4.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate?
The IUPAC name of 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate (CID 11245095) is 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate.
What is the SMILES notation for 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate?
The canonical SMILES for 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate is CC(=C\B1OC(C)(C)C(C)(C)O1)/C=C(\C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate?
The InChIKey is FADHMNHZHPDRIP-RCQWFYMDSA-N. The full InChI is InChI=1S/C18H33BO4Si/c1-14(13-19-22-17(3,4)18(5,6)23-19)12-15(2)16(20)21-10-11-24(7,8)9/h12-13H,10-11H2,1-9H3/b14-13+,15-12+.
What are the key properties of 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate?
2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate has a molecular weight of 352.36 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2E,4E)-2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoate is sourced from PubChem (CID 11245095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).