[tert-butyl(diphenyl)silyl] butanoate

C20H26O2Si — CID 91802630

IUPAC[tert-butyl(diphenyl)silyl] butanoate
SMILESCCCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-5-12-19(21)22-23(20(2,3)4,17-13-8-6-9-14-17)18-15-10-7-11-16-18/h6-11,13-16H,5,12H2,1-4H3
InChIKeyQHIOFAAAPJSIEG-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.89
Rot. Bonds5

About [tert-butyl(diphenyl)silyl] butanoate

[tert-butyl(diphenyl)silyl] butanoate (PubChem CID 91802630) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] butanoate.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl] butanoate
PubChem CID91802630
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name[tert-butyl(diphenyl)silyl] butanoate
SMILESCCCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-5-12-19(21)22-23(20(2,3)4,17-13-8-6-9-14-17)18-15-10-7-11-16-18/h6-11,13-16H,5,12H2,1-4H3
InChIKeyQHIOFAAAPJSIEG-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.89
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

[tert-butyl(diphenyl)silyl] pent-4-ynoate
CID 101226817
bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
CID 139812746
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
CID 162310940
2,3-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohept-2-enoic acid
CID 70442473
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
CID 162445089
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 174721555
diethyl (3S)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxybutanedioate
CID 177463160
[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11169578
tert-butyl-(1-methoxyethenoxy)-diphenylsilane
CID 10662951
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(diphenyl)silyl] butanoate?
The IUPAC name of [tert-butyl(diphenyl)silyl] butanoate (CID 91802630) is [tert-butyl(diphenyl)silyl] butanoate.
What is the SMILES notation for [tert-butyl(diphenyl)silyl] butanoate?
The canonical SMILES for [tert-butyl(diphenyl)silyl] butanoate is CCCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [tert-butyl(diphenyl)silyl] butanoate?
The InChIKey is QHIOFAAAPJSIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-5-12-19(21)22-23(20(2,3)4,17-13-8-6-9-14-17)18-15-10-7-11-16-18/h6-11,13-16H,5,12H2,1-4H3.
What are the key properties of [tert-butyl(diphenyl)silyl] butanoate?
[tert-butyl(diphenyl)silyl] butanoate has a molecular weight of 326.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl] butanoate is sourced from PubChem (CID 91802630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).