(2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one

C21H28O2Si — CID 15471856

IUPAC(2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one
SMILESCCC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-6-20(22)17(2)23-24(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,6H2,1-5H3/t17-/m0/s1
InChIKeyZZRYECCXUCVQPA-KRWDZBQOSA-N
MW340.54 g/mol
LogP3.93
Rot. Bonds6

About (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one

(2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one (PubChem CID 15471856) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one
PubChem CID15471856
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one
SMILESCCC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-6-20(22)17(2)23-24(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,6H2,1-5H3/t17-/m0/s1
InChIKeyZZRYECCXUCVQPA-KRWDZBQOSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one?
The IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one (CID 15471856) is (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one.
What is the SMILES notation for (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one?
The canonical SMILES for (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one is CCC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one?
The InChIKey is ZZRYECCXUCVQPA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-6-20(22)17(2)23-24(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,6H2,1-5H3/t17-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one?
(2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one has a molecular weight of 340.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(diphenyl)silyl]oxypentan-3-one is sourced from PubChem (CID 15471856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).