1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one

C20H28O3Si2 — CID 10547317

IUPAC1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one
SMILESCCOC1=C([Si](C)(C)C)C12OC(=O)C([Si](C)(C)C)=C2c1ccccc1
InChIInChI=1S/C20H28O3Si2/c1-8-22-17-18(25(5,6)7)20(17)15(14-12-10-9-11-13-14)16(19(21)23-20)24(2,3)4/h9-13H,8H2,1-7H3
InChIKeyKHGAWDBLWNNXED-UHFFFAOYSA-N
MW372.61 g/mol
LogP4.79
Rot. Bonds5

About 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one

1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one (PubChem CID 10547317) has the molecular formula C20H28O3Si2 and a molecular weight of 372.61 g/mol. Its IUPAC name is 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one.

Molecular Properties

Compound Name1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one
PubChem CID10547317
Molecular FormulaC20H28O3Si2
Molecular Weight372.61 g/mol
Exact Mass372.16
IUPAC Name1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one
SMILESCCOC1=C([Si](C)(C)C)C12OC(=O)C([Si](C)(C)C)=C2c1ccccc1
InChIInChI=1S/C20H28O3Si2/c1-8-22-17-18(25(5,6)7)20(17)15(14-12-10-9-11-13-14)16(19(21)23-20)24(2,3)4/h9-13H,8H2,1-7H3
InChIKeyKHGAWDBLWNNXED-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one?
The IUPAC name of 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one (CID 10547317) is 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one.
What is the SMILES notation for 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one?
The canonical SMILES for 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one is CCOC1=C([Si](C)(C)C)C12OC(=O)C([Si](C)(C)C)=C2c1ccccc1.
What is the InChIKey of 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one?
The InChIKey is KHGAWDBLWNNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3Si2/c1-8-22-17-18(25(5,6)7)20(17)15(14-12-10-9-11-13-14)16(19(21)23-20)24(2,3)4/h9-13H,8H2,1-7H3.
What are the key properties of 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one?
1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one has a molecular weight of 372.61 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-7-phenyl-2,6-bis(trimethylsilyl)-4-oxaspiro[2.4]hepta-1,6-dien-5-one is sourced from PubChem (CID 10547317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).