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

C25H32O5Si — CID 12039244

IUPAC(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
SMILESCC1(C)OC[C@H]([C@H]2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2=O)O1
InChIInChI=1S/C25H32O5Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)30-20-16-27-23(22(20)26)21-17-28-25(4,5)29-21/h6-15,20-21,23H,16-17H2,1-5H3/t20-,21+,23+/m0/s1
InChIKeyLEPWSBWWNUZSLJ-QZNHQXDQSA-N
MW440.61 g/mol
LogP3.05
Rot. Bonds5

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

(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one (PubChem CID 12039244) has the molecular formula C25H32O5Si and a molecular weight of 440.61 g/mol. Its IUPAC name is (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one.

Molecular Properties

Compound Name(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
PubChem CID12039244
Molecular FormulaC25H32O5Si
Molecular Weight440.61 g/mol
Exact Mass440.20
IUPAC Name(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
SMILESCC1(C)OC[C@H]([C@H]2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2=O)O1
InChIInChI=1S/C25H32O5Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)30-20-16-27-23(22(20)26)21-17-28-25(4,5)29-21/h6-15,20-21,23H,16-17H2,1-5H3/t20-,21+,23+/m0/s1
InChIKeyLEPWSBWWNUZSLJ-QZNHQXDQSA-N
XLogP3.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one
CID 161197599
2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol
CID 12039247
(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
CID 67092775
N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide
CID 177497464
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
tert-butyl-[(2R,3R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl]oxy-diphenylsilane
CID 10816744
5-[tert-butyl(diphenyl)silyl]oxy-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2,2,4-trimethylcyclohex-3-en-1-one
CID 10940128
[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane
CID 99738182
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane
CID 101419414
tert-butyl-[(1'S,4S,5S)-5',8'-dimethoxy-2,2,5-trimethylspiro[1,3-dioxolane-4,3'-2,4-dihydro-1H-naphthalene]-1'-yl]oxy-diphenylsilane
CID 11049887
3-[2-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-5-yl]methyl]phenyl]propanoic acid
CID 18944151

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one?
The IUPAC name of (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one (CID 12039244) is (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one.
What is the SMILES notation for (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one?
The canonical SMILES for (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one is CC1(C)OC[C@H]([C@H]2OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2=O)O1.
What is the InChIKey of (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one?
The InChIKey is LEPWSBWWNUZSLJ-QZNHQXDQSA-N. The full InChI is InChI=1S/C25H32O5Si/c1-24(2,3)31(18-12-8-6-9-13-18,19-14-10-7-11-15-19)30-20-16-27-23(22(20)26)21-17-28-25(4,5)29-21/h6-15,20-21,23H,16-17H2,1-5H3/t20-,21+,23+/m0/s1.
What are the key properties of (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one?
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one has a molecular weight of 440.61 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one is sourced from PubChem (CID 12039244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).