1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one

C17H20O2Si — CID 10517210

IUPAC1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one
SMILESCC1=C(C)C12OC(=O)C([Si](C)(C)C)=C2c1ccccc1
InChIInChI=1S/C17H20O2Si/c1-11-12(2)17(11)14(13-9-7-6-8-10-13)15(16(18)19-17)20(3,4)5/h6-10H,1-5H3
InChIKeyGFDKPMPCXDTRRG-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.96
Rot. Bonds2

About 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one

1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one (PubChem CID 10517210) has the molecular formula C17H20O2Si and a molecular weight of 284.43 g/mol. Its IUPAC name is 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one.

Molecular Properties

Compound Name1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one
PubChem CID10517210
Molecular FormulaC17H20O2Si
Molecular Weight284.43 g/mol
Exact Mass284.12
IUPAC Name1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one
SMILESCC1=C(C)C12OC(=O)C([Si](C)(C)C)=C2c1ccccc1
InChIInChI=1S/C17H20O2Si/c1-11-12(2)17(11)14(13-9-7-6-8-10-13)15(16(18)19-17)20(3,4)5/h6-10H,1-5H3
InChIKeyGFDKPMPCXDTRRG-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one?
The IUPAC name of 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one (CID 10517210) is 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one.
What is the SMILES notation for 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one?
The canonical SMILES for 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one is CC1=C(C)C12OC(=O)C([Si](C)(C)C)=C2c1ccccc1.
What is the InChIKey of 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one?
The InChIKey is GFDKPMPCXDTRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2Si/c1-11-12(2)17(11)14(13-9-7-6-8-10-13)15(16(18)19-17)20(3,4)5/h6-10H,1-5H3.
What are the key properties of 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one?
1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one has a molecular weight of 284.43 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-7-phenyl-6-trimethylsilyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one is sourced from PubChem (CID 10517210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).