2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone

C20H26O2Si — CID 10903527

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-20(2,3)23(4,5)22-19(17-14-10-7-11-15-17)18(21)16-12-8-6-9-13-16/h6-15,19H,1-5H3
InChIKeySPCXQNIDSLEHIR-UHFFFAOYSA-N
MW326.51 g/mol
LogP5.63
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone

2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone (PubChem CID 10903527) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone
PubChem CID10903527
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-20(2,3)23(4,5)22-19(17-14-10-7-11-15-17)18(21)16-12-8-6-9-13-16/h6-15,19H,1-5H3
InChIKeySPCXQNIDSLEHIR-UHFFFAOYSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 8400
CID 8400
CID 90571
CID 90571
CID 101778
CID 101778
CID 98097
CID 98097
CID 110912
CID 110912
CID 95416
CID 95416
CID 90794
CID 90794
CID 640038
CID 640038
CID 667422
CID 667422
CID 2754200
CID 2754200
CID 13806931
CID 13806931
CID 224848
CID 224848

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone (CID 10903527) is 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone is CC(C)(C)[Si](C)(C)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone?
The InChIKey is SPCXQNIDSLEHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-20(2,3)23(4,5)22-19(17-14-10-7-11-15-17)18(21)16-12-8-6-9-13-16/h6-15,19H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone has a molecular weight of 326.51 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1,2-diphenylethanone is sourced from PubChem (CID 10903527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).