(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one

C29H44O5Si2 — CID 11005929

IUPAC(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@@H]1[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H44O5Si2/c1-28(2,3)35(7,8)34-25-21-26(31)33-27(25)24(30)19-20-32-36(29(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-25,27,30H,19-21H2,1-8H3/t24-,25-,27+/m0/s1
InChIKeyDHJVFKHCOSDYSG-OHSXHVKISA-N
MW528.84 g/mol
LogP5.02
Rot. Bonds9

About (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one (PubChem CID 11005929) has the molecular formula C29H44O5Si2 and a molecular weight of 528.84 g/mol. Its IUPAC name is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
PubChem CID11005929
Molecular FormulaC29H44O5Si2
Molecular Weight528.84 g/mol
Exact Mass528.27
IUPAC Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@@H]1[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H44O5Si2/c1-28(2,3)35(7,8)34-25-21-26(31)33-27(25)24(30)19-20-32-36(29(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-25,27,30H,19-21H2,1-8H3/t24-,25-,27+/m0/s1
InChIKeyDHJVFKHCOSDYSG-OHSXHVKISA-N
XLogP5.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.84
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aR,4S,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70653983
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
(1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol
CID 23242968
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one
CID 51031891
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
4-[tert-butyl(diphenyl)silyl]oxy-2-dimethoxyphosphorylbutanoic acid
CID 71561246
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol
CID 11090300
(4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol
CID 11216240
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
(4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one
CID 100945934
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 71762485
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one (CID 11005929) is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The canonical SMILES for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)O[C@@H]1[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The InChIKey is DHJVFKHCOSDYSG-OHSXHVKISA-N. The full InChI is InChI=1S/C29H44O5Si2/c1-28(2,3)35(7,8)34-25-21-26(31)33-27(25)24(30)19-20-32-36(29(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-25,27,30H,19-21H2,1-8H3/t24-,25-,27+/m0/s1.
What are the key properties of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one has a molecular weight of 528.84 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one is sourced from PubChem (CID 11005929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).