(4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one

C31H38O3SeSi — CID 24808080

IUPAC(4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one
SMILESCC(C)(C)[Si](OC[C@H](CC[Se]c1ccccc1)[C@@H]1CCOC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H38O3SeSi/c1-31(2,3)36(28-15-9-5-10-16-28,29-17-11-6-12-18-29)34-24-26(25-19-21-33-30(32)23-25)20-22-35-27-13-7-4-8-14-27/h4-18,25-26H,19-24H2,1-3H3/t25-,26+/m1/s1
InChIKeyBDIMGBPBQQVMFP-FTJBHMTQSA-N
MW565.69 g/mol
LogP4.97
Rot. Bonds10

About (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one

(4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one (PubChem CID 24808080) has the molecular formula C31H38O3SeSi and a molecular weight of 565.69 g/mol. Its IUPAC name is (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one
PubChem CID24808080
Molecular FormulaC31H38O3SeSi
Molecular Weight565.69 g/mol
Exact Mass566.18
IUPAC Name(4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one
SMILESCC(C)(C)[Si](OC[C@H](CC[Se]c1ccccc1)[C@@H]1CCOC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H38O3SeSi/c1-31(2,3)36(28-15-9-5-10-16-28,29-17-11-6-12-18-29)34-24-26(25-19-21-33-30(32)23-25)20-22-35-27-13-7-4-8-14-27/h4-18,25-26H,19-24H2,1-3H3/t25-,26+/m1/s1
InChIKeyBDIMGBPBQQVMFP-FTJBHMTQSA-N
XLogP4.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.69
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(4aS,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
CID 73293002
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
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CID 169182431
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
CID 10896506
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
CID 142754739
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one?
The IUPAC name of (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one (CID 24808080) is (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one.
What is the SMILES notation for (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one?
The canonical SMILES for (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one is CC(C)(C)[Si](OC[C@H](CC[Se]c1ccccc1)[C@@H]1CCOC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one?
The InChIKey is BDIMGBPBQQVMFP-FTJBHMTQSA-N. The full InChI is InChI=1S/C31H38O3SeSi/c1-31(2,3)36(28-15-9-5-10-16-28,29-17-11-6-12-18-29)34-24-26(25-19-21-33-30(32)23-25)20-22-35-27-13-7-4-8-14-27/h4-18,25-26H,19-24H2,1-3H3/t25-,26+/m1/s1.
What are the key properties of (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one?
(4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one has a molecular weight of 565.69 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one is sourced from PubChem (CID 24808080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).