(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one

C30H46O4Si2 — CID 71523785

IUPAC(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one
SMILESC[C@@H]1C[C@@H]([C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C30H46O4Si2/c1-23-22-27(33-28(23)31)26(34-35(8,9)29(2,3)4)20-21-32-36(30(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,23,26-27H,20-22H2,1-9H3/t23-,26+,27+/m1/s1
InChIKeyHUTRRDFLWHBWKM-NPAAKHOSSA-N
MW526.87 g/mol
LogP6.30
Rot. Bonds9

About (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one

(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one (PubChem CID 71523785) has the molecular formula C30H46O4Si2 and a molecular weight of 526.87 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one
PubChem CID71523785
Molecular FormulaC30H46O4Si2
Molecular Weight526.87 g/mol
Exact Mass526.29
IUPAC Name(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one
SMILESC[C@@H]1C[C@@H]([C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C30H46O4Si2/c1-23-22-27(33-28(23)31)26(34-35(8,9)29(2,3)4)20-21-32-36(30(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,23,26-27H,20-22H2,1-9H3/t23-,26+,27+/m1/s1
InChIKeyHUTRRDFLWHBWKM-NPAAKHOSSA-N
XLogP6.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.87
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methyldihydrofuran-2(3H)-one
CID 11014072
[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(1-fluoro-1-methyl-ethyl)tetrahydrofuran-2-yl]acetate
CID 131737115
(2S,6aS,9aR)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3,4,5,6,6a,9,9a-octahydrofuro[3,4-b]oxocin-7-one
CID 10343111
methyl (5R,8R,9S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dioxo-9-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonane-9-carboxylate
CID 10745648
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10926716
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3,5-dimethyloxan-2-one
CID 10960866
methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate
CID 10961482
but-3-en-2-yl 2-[(1R,2S,5R,6R)-6-but-3-enyl-5-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxycyclohex-3-en-1-yl]acetate
CID 11520160
(4R,5Z,8aR,9R,12S,12aR)-9-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1,4,7,8,8a,9,12,12a-octahydro-3-benzoxecin-2-one
CID 11714178
(3R,4S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxepan-2-one
CID 11843603
(5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]oxolan-2-one
CID 12190362
(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propyloxolan-2-one
CID 14215132

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one (CID 71523785) is (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one is C[C@@H]1C[C@@H]([C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one?
The InChIKey is HUTRRDFLWHBWKM-NPAAKHOSSA-N. The full InChI is InChI=1S/C30H46O4Si2/c1-23-22-27(33-28(23)31)26(34-35(8,9)29(2,3)4)20-21-32-36(30(5,6)7,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,23,26-27H,20-22H2,1-9H3/t23-,26+,27+/m1/s1.
What are the key properties of (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one?
(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one has a molecular weight of 526.87 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one is sourced from PubChem (CID 71523785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).