1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one

C25H28O2Si — CID 91136770

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
SMILESCC(C)(C)[Si](OCC(=O)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2Si/c1-25(2,3)28(23-15-9-5-10-16-23,24-17-11-6-12-18-24)27-20-22(26)19-21-13-7-4-8-14-21/h4-18H,19-20H2,1-3H3
InChIKeyXGCQKWLBFHSLSW-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.37
Rot. Bonds7

About 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one

1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one (PubChem CID 91136770) has the molecular formula C25H28O2Si and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
PubChem CID91136770
Molecular FormulaC25H28O2Si
Molecular Weight388.58 g/mol
Exact Mass388.19
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
SMILESCC(C)(C)[Si](OCC(=O)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2Si/c1-25(2,3)28(23-15-9-5-10-16-23,24-17-11-6-12-18-24)27-20-22(26)19-21-13-7-4-8-14-21/h4-18H,19-20H2,1-3H3
InChIKeyXGCQKWLBFHSLSW-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.37
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

2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
CID 72713425
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11169578
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane
CID 11317038

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one (CID 91136770) is 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one is CC(C)(C)[Si](OCC(=O)Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one?
The InChIKey is XGCQKWLBFHSLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2Si/c1-25(2,3)28(23-15-9-5-10-16-23,24-17-11-6-12-18-24)27-20-22(26)19-21-13-7-4-8-14-21/h4-18H,19-20H2,1-3H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one?
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one has a molecular weight of 388.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one is sourced from PubChem (CID 91136770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).