4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate

C24H32O3Si — CID 66656955

IUPAC4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-20(2)23(25)26-18-12-13-19-27-28(24(3,4)5,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-17,20H,18-19H2,1-5H3
InChIKeyRYTURDHAZFQXLE-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.32
Rot. Bonds8

About 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate

4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate (PubChem CID 66656955) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
PubChem CID66656955
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-20(2)23(25)26-18-12-13-19-27-28(24(3,4)5,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-17,20H,18-19H2,1-5H3
InChIKeyRYTURDHAZFQXLE-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
[(E,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-5,6-dihydroxyhept-2-enyl] acetate
CID 102309338
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
[(E,2S)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-yl] hex-5-enoate
CID 102211153
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
CID 101394418
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate (CID 66656955) is 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate is CC(C)C(=O)OCC=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate?
The InChIKey is RYTURDHAZFQXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-20(2)23(25)26-18-12-13-19-27-28(24(3,4)5,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-17,20H,18-19H2,1-5H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate?
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate has a molecular weight of 396.60 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate is sourced from PubChem (CID 66656955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).