tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane

C24H36OSe2Si — CID 10720890

IUPACtert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane
SMILESC[C@H](C([Se]c1ccccc1)[Se]c1ccccc1)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H36OSe2Si/c1-19(18-25-28(6,7)24(3,4)5)20(2)23(26-21-14-10-8-11-15-21)27-22-16-12-9-13-17-22/h8-17,19-20,23H,18H2,1-7H3/t19-,20-/m0/s1
InChIKeyGXWCCQCYUBUIJZ-PMACEKPBSA-N
MW526.56 g/mol
LogP5.09
Rot. Bonds9

About tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane

tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane (PubChem CID 10720890) has the molecular formula C24H36OSe2Si and a molecular weight of 526.56 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane
PubChem CID10720890
Molecular FormulaC24H36OSe2Si
Molecular Weight526.56 g/mol
Exact Mass528.09
IUPAC Nametert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane
SMILESC[C@H](C([Se]c1ccccc1)[Se]c1ccccc1)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H36OSe2Si/c1-19(18-25-28(6,7)24(3,4)5)20(2)23(26-21-14-10-8-11-15-21)27-22-16-12-9-13-17-22/h8-17,19-20,23H,18H2,1-7H3/t19-,20-/m0/s1
InChIKeyGXWCCQCYUBUIJZ-PMACEKPBSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.56
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
2-(2-bromophenyl)propoxy-tert-butyl-dimethylsilane
CID 174100478
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
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CID 10546896
(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol
CID 11598732
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
CID 134979892
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 23248208
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal
CID 10872677
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane (CID 10720890) is tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane is C[C@H](C([Se]c1ccccc1)[Se]c1ccccc1)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane?
The InChIKey is GXWCCQCYUBUIJZ-PMACEKPBSA-N. The full InChI is InChI=1S/C24H36OSe2Si/c1-19(18-25-28(6,7)24(3,4)5)20(2)23(26-21-14-10-8-11-15-21)27-22-16-12-9-13-17-22/h8-17,19-20,23H,18H2,1-7H3/t19-,20-/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane has a molecular weight of 526.56 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane is sourced from PubChem (CID 10720890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).