6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one

C26H38O2Si — CID 10364271

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one
SMILESCCC(CCC(=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O2Si/c1-8-21(19-20-24(27)25(2,3)4)28-29(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21H,8,19-20H2,1-7H3
InChIKeyVNGWQNXAHAVAMX-UHFFFAOYSA-N
MW410.67 g/mol
LogP5.74
Rot. Bonds8

About 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one

6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one (PubChem CID 10364271) has the molecular formula C26H38O2Si and a molecular weight of 410.67 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one
PubChem CID10364271
Molecular FormulaC26H38O2Si
Molecular Weight410.67 g/mol
Exact Mass410.26
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one
SMILESCCC(CCC(=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O2Si/c1-8-21(19-20-24(27)25(2,3)4)28-29(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21H,8,19-20H2,1-7H3
InChIKeyVNGWQNXAHAVAMX-UHFFFAOYSA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 55.74
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 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one (CID 10364271) is 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one is CCC(CCC(=O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one?
The InChIKey is VNGWQNXAHAVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2Si/c1-8-21(19-20-24(27)25(2,3)4)28-29(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21H,8,19-20H2,1-7H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one?
6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one has a molecular weight of 410.67 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-one is sourced from PubChem (CID 10364271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).