(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one

C27H30O3SeSi — CID 10791784

IUPAC(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1C[C@@H]([Se]c2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O3SeSi/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-21-19-25(26(28)30-21)31-22-13-7-4-8-14-22/h4-18,21,25H,19-20H2,1-3H3/t21-,25-/m1/s1
InChIKeySXOMYUCCEVSQMK-PXDATVDWSA-N
MW509.58 g/mol
LogP3.70
Rot. Bonds7

About (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one

(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one (PubChem CID 10791784) has the molecular formula C27H30O3SeSi and a molecular weight of 509.58 g/mol. Its IUPAC name is (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one
PubChem CID10791784
Molecular FormulaC27H30O3SeSi
Molecular Weight509.58 g/mol
Exact Mass510.11
IUPAC Name(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1C[C@@H]([Se]c2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O3SeSi/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-21-19-25(26(28)30-21)31-22-13-7-4-8-14-22/h4-18,21,25H,19-20H2,1-3H3/t21-,25-/m1/s1
InChIKeySXOMYUCCEVSQMK-PXDATVDWSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.58
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 11036001
3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-phenylselanyloxolan-2-one
CID 134937918
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
CID 11374293
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
CID 11639253
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 25108262
(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 11002733
(3R,5S)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methyldihydrofuran-2(3H)-one
CID 11014072
(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 11014073
ethyl (4S)-4-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 11014491
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10571352
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10883221

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one?
The IUPAC name of (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one (CID 10791784) is (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one is CC(C)(C)[Si](OC[C@H]1C[C@@H]([Se]c2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one?
The InChIKey is SXOMYUCCEVSQMK-PXDATVDWSA-N. The full InChI is InChI=1S/C27H30O3SeSi/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-21-19-25(26(28)30-21)31-22-13-7-4-8-14-22/h4-18,21,25H,19-20H2,1-3H3/t21-,25-/m1/s1.
What are the key properties of (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one?
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one has a molecular weight of 509.58 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-one is sourced from PubChem (CID 10791784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).