5-[tert-butyl(diphenyl)silyl]oxypentan-2-one

C21H28O2Si — CID 12768411

IUPAC5-[tert-butyl(diphenyl)silyl]oxypentan-2-one
SMILESCC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-18(22)12-11-17-23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,11-12,17H2,1-4H3
InChIKeyOBNKUXOLNAALKF-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.93
Rot. Bonds7

About 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one

5-[tert-butyl(diphenyl)silyl]oxypentan-2-one (PubChem CID 12768411) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxypentan-2-one
PubChem CID12768411
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxypentan-2-one
SMILESCC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-18(22)12-11-17-23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,11-12,17H2,1-4H3
InChIKeyOBNKUXOLNAALKF-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyldiethoxysilane
CID 75705
Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Dibutoxy(diphenyl)silane
CID 13637536
Diphenyl-dipropoxy-silane
CID 14324871
1-{2-[(Tert-butyldiphenylsilyl)oxy]ethyl}cyclopropane-1-carbaldehyde
CID 58584506
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
t-Butyl-(3-methylbut-3-enyloxy)diphenylsilane
CID 605219
Propanal, 3-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 9995679
2-((Tert-butyldiphenylsilyl)oxy)acetaldehyde
CID 10040359
4-(Tert-butyldiphenylsilyloxy)butanal
CID 10871112
(1R,2R)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)cyclopropane-1-carbaldehyde
CID 10958705

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one (CID 12768411) is 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one is CC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one?
The InChIKey is OBNKUXOLNAALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-18(22)12-11-17-23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,11-12,17H2,1-4H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one?
5-[tert-butyl(diphenyl)silyl]oxypentan-2-one has a molecular weight of 340.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxypentan-2-one is sourced from PubChem (CID 12768411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).