(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one

C24H30O4Si — CID 15748769

IUPAC(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one
SMILESC=C(CO)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H30O4Si/c1-18(16-25)21-15-23(26)28-22(21)17-27-29(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-22,25H,1,15-17H2,2-4H3/t21-,22-/m1/s1
InChIKeyILLHRHZUQRSYJX-FGZHOGPDSA-N
MW410.59 g/mol
LogP3.04
Rot. Bonds7

About (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one

(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one (PubChem CID 15748769) has the molecular formula C24H30O4Si and a molecular weight of 410.59 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one
PubChem CID15748769
Molecular FormulaC24H30O4Si
Molecular Weight410.59 g/mol
Exact Mass410.19
IUPAC Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one
SMILESC=C(CO)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H30O4Si/c1-18(16-25)21-15-23(26)28-22(21)17-27-29(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-22,25H,1,15-17H2,2-4H3/t21-,22-/m1/s1
InChIKeyILLHRHZUQRSYJX-FGZHOGPDSA-N
XLogP3.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 19358695
(3aS,4S,5S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10573641
(3aS,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139025697
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
CID 134880347
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one
CID 11517779
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one?
The IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one (CID 15748769) is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one is C=C(CO)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one?
The InChIKey is ILLHRHZUQRSYJX-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H30O4Si/c1-18(16-25)21-15-23(26)28-22(21)17-27-29(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-22,25H,1,15-17H2,2-4H3/t21-,22-/m1/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one?
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one has a molecular weight of 410.59 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one is sourced from PubChem (CID 15748769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).