7-phenyl-6-triethylsilyloxyheptan-2-one

C19H32O2Si — CID 11220932

IUPAC7-phenyl-6-triethylsilyloxyheptan-2-one
SMILESCC[Si](CC)(CC)OC(CCCC(C)=O)Cc1ccccc1
InChIInChI=1S/C19H32O2Si/c1-5-22(6-2,7-3)21-19(15-11-12-17(4)20)16-18-13-9-8-10-14-18/h8-10,13-14,19H,5-7,11-12,15-16H2,1-4H3
InChIKeyPQCIAQXPEYZPRR-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.38
Rot. Bonds11

About 7-phenyl-6-triethylsilyloxyheptan-2-one

7-phenyl-6-triethylsilyloxyheptan-2-one (PubChem CID 11220932) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is 7-phenyl-6-triethylsilyloxyheptan-2-one.

Molecular Properties

Compound Name7-phenyl-6-triethylsilyloxyheptan-2-one
PubChem CID11220932
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name7-phenyl-6-triethylsilyloxyheptan-2-one
SMILESCC[Si](CC)(CC)OC(CCCC(C)=O)Cc1ccccc1
InChIInChI=1S/C19H32O2Si/c1-5-22(6-2,7-3)21-19(15-11-12-17(4)20)16-18-13-9-8-10-14-18/h8-10,13-14,19H,5-7,11-12,15-16H2,1-4H3
InChIKeyPQCIAQXPEYZPRR-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-phenyl-6-triethylsilyloxyheptan-2-one?
The IUPAC name of 7-phenyl-6-triethylsilyloxyheptan-2-one (CID 11220932) is 7-phenyl-6-triethylsilyloxyheptan-2-one.
What is the SMILES notation for 7-phenyl-6-triethylsilyloxyheptan-2-one?
The canonical SMILES for 7-phenyl-6-triethylsilyloxyheptan-2-one is CC[Si](CC)(CC)OC(CCCC(C)=O)Cc1ccccc1.
What is the InChIKey of 7-phenyl-6-triethylsilyloxyheptan-2-one?
The InChIKey is PQCIAQXPEYZPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-5-22(6-2,7-3)21-19(15-11-12-17(4)20)16-18-13-9-8-10-14-18/h8-10,13-14,19H,5-7,11-12,15-16H2,1-4H3.
What are the key properties of 7-phenyl-6-triethylsilyloxyheptan-2-one?
7-phenyl-6-triethylsilyloxyheptan-2-one has a molecular weight of 320.55 g/mol, XLogP of 5.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-triethylsilyloxyheptan-2-one is sourced from PubChem (CID 11220932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).