(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione

C22H28O3Si — CID 23643373

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C(=O)CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(4,5)25-21(18-14-10-7-11-15-18)20(24)16-19(23)17-12-8-6-9-13-17/h6-15,21H,16H2,1-5H3/t21-/m1/s1
InChIKeyZCRNPCDSKUNTMI-OAQYLSRUSA-N
MW368.55 g/mol
LogP5.59
Rot. Bonds7

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione (PubChem CID 23643373) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione
PubChem CID23643373
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C(=O)CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(4,5)25-21(18-14-10-7-11-15-18)20(24)16-19(23)17-12-8-6-9-13-17/h6-15,21H,16H2,1-5H3/t21-/m1/s1
InChIKeyZCRNPCDSKUNTMI-OAQYLSRUSA-N
XLogP5.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione (CID 23643373) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione is CC(C)(C)[Si](C)(C)O[C@@H](C(=O)CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione?
The InChIKey is ZCRNPCDSKUNTMI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-22(2,3)26(4,5)25-21(18-14-10-7-11-15-18)20(24)16-19(23)17-12-8-6-9-13-17/h6-15,21H,16H2,1-5H3/t21-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione has a molecular weight of 368.55 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-diphenylbutane-1,3-dione is sourced from PubChem (CID 23643373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).