1-triphenylsilyloxypentan-2-one

C23H24O2Si — CID 18622623

IUPAC1-triphenylsilyloxypentan-2-one
SMILESCCCC(=O)CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2Si/c1-2-12-20(24)19-25-26(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18H,2,12,19H2,1H3
InChIKeyBBZLACYCOWZORI-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.04
Rot. Bonds8

About 1-triphenylsilyloxypentan-2-one

1-triphenylsilyloxypentan-2-one (PubChem CID 18622623) has the molecular formula C23H24O2Si and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-triphenylsilyloxypentan-2-one.

Molecular Properties

Compound Name1-triphenylsilyloxypentan-2-one
PubChem CID18622623
Molecular FormulaC23H24O2Si
Molecular Weight360.53 g/mol
Exact Mass360.15
IUPAC Name1-triphenylsilyloxypentan-2-one
SMILESCCCC(=O)CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2Si/c1-2-12-20(24)19-25-26(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18H,2,12,19H2,1H3
InChIKeyBBZLACYCOWZORI-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-trimethylsilyloxypentan-2-one
CID 18622774
1-[methyl(diphenyl)silyl]butan-1-one
CID 10587992
1-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
1-(2-propoxyphenoxy)pentan-2-one
CID 62043591
1-phenoxyhexan-3-one
CID 60797707
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 87328834
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 154048216
alumane;phenyl butanoate
CID 174579212
but-2-enoxy(triphenyl)silane
CID 4292154
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643

Frequently Asked Questions

What is the IUPAC name of 1-triphenylsilyloxypentan-2-one?
The IUPAC name of 1-triphenylsilyloxypentan-2-one (CID 18622623) is 1-triphenylsilyloxypentan-2-one.
What is the SMILES notation for 1-triphenylsilyloxypentan-2-one?
The canonical SMILES for 1-triphenylsilyloxypentan-2-one is CCCC(=O)CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-triphenylsilyloxypentan-2-one?
The InChIKey is BBZLACYCOWZORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2Si/c1-2-12-20(24)19-25-26(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18H,2,12,19H2,1H3.
What are the key properties of 1-triphenylsilyloxypentan-2-one?
1-triphenylsilyloxypentan-2-one has a molecular weight of 360.53 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triphenylsilyloxypentan-2-one is sourced from PubChem (CID 18622623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).