(5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one

C31H38O4Si — CID 10918143

IUPAC(5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](OCc1ccccc1)[C@@H]1CCC(=O)O1
InChIInChI=1S/C31H38O4Si/c1-24(30(28-20-21-29(32)35-28)33-23-25-14-8-5-9-15-25)22-34-36(31(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28,30H,20-23H2,1-4H3/t24-,28+,30-/m1/s1
InChIKeyBGOSPIVHFULJQP-SHFQUTHWSA-N
MW502.73 g/mol
LogP5.49
Rot. Bonds10

About (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one

(5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one (PubChem CID 10918143) has the molecular formula C31H38O4Si and a molecular weight of 502.73 g/mol. Its IUPAC name is (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one
PubChem CID10918143
Molecular FormulaC31H38O4Si
Molecular Weight502.73 g/mol
Exact Mass502.25
IUPAC Name(5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](OCc1ccccc1)[C@@H]1CCC(=O)O1
InChIInChI=1S/C31H38O4Si/c1-24(30(28-20-21-29(32)35-28)33-23-25-14-8-5-9-15-25)22-34-36(31(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28,30H,20-23H2,1-4H3/t24-,28+,30-/m1/s1
InChIKeyBGOSPIVHFULJQP-SHFQUTHWSA-N
XLogP5.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.73
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one with MolForge

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Related Compounds

(3R,4R,5R)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one
CID 11004289
Dimethyl 3,5-diphenyltetrahydro-2,4-furandicarboxylate
CID 11836756
(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)-methyl)dihydrofuran-2(3H)-one
CID 562066
ethyl 2-[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2-difluoroacetate
CID 101890496
[(2R)-2-acetyloxy-2-[(2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-6-oxo-2,3-dihydropyran-2-yl]ethyl] benzoate
CID 177657200
(2R,3S,5S)-3-[dimethyl(phenyl)silyl]-2-hexyl-5-phenylmethoxyhexadecanoic acid
CID 14610785
2,3,5-Tri-O-benzyl-D-arabino-1,4-lactone
CID 11069790
ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
CID 11342644
methyl 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 13845551
[2-Acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate
CID 67359153
(5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 129128559
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid
CID 134943635

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one (CID 10918143) is (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](OCc1ccccc1)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one?
The InChIKey is BGOSPIVHFULJQP-SHFQUTHWSA-N. The full InChI is InChI=1S/C31H38O4Si/c1-24(30(28-20-21-29(32)35-28)33-23-25-14-8-5-9-15-25)22-34-36(31(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24,28,30H,20-23H2,1-4H3/t24-,28+,30-/m1/s1.
What are the key properties of (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one?
(5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one has a molecular weight of 502.73 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one is sourced from PubChem (CID 10918143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).