(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one

C21H26O4Si — CID 11440139

IUPAC(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](O)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O4Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19,22H,14-15H2,1-3H3/t16-,19+/m0/s1
InChIKeyVAFGKTJILYPNSL-QFBILLFUSA-N
MW370.52 g/mol
LogP2.24
Rot. Bonds5

About (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one

(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one (PubChem CID 11440139) has the molecular formula C21H26O4Si and a molecular weight of 370.52 g/mol. Its IUPAC name is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one
PubChem CID11440139
Molecular FormulaC21H26O4Si
Molecular Weight370.52 g/mol
Exact Mass370.16
IUPAC Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](O)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O4Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19,22H,14-15H2,1-3H3/t16-,19+/m0/s1
InChIKeyVAFGKTJILYPNSL-QFBILLFUSA-N
XLogP2.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 11036001
3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10571352
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one
CID 11406491
[(4R,6R,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7,8-dihydroxyoctan-4-yl] hex-5-enoate
CID 134938019
(3AR,6R,6aR)-6-(((tert-butyldiphenylsilyl)oxy)methyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one
CID 10862839
(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 11002733
(3R,5S)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methyldihydrofuran-2(3H)-one
CID 11014072
METHYL 3-t-BUTYLDIPHENYLSILYLOXY-2-HYDROXYPROPIONATE
CID 21255857
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
CID 24755864
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10883221
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 11760496

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one?
The IUPAC name of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one (CID 11440139) is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one?
The canonical SMILES for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one is CC(C)(C)[Si](OC[C@@H]1C[C@@H](O)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one?
The InChIKey is VAFGKTJILYPNSL-QFBILLFUSA-N. The full InChI is InChI=1S/C21H26O4Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19,22H,14-15H2,1-3H3/t16-,19+/m0/s1.
What are the key properties of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one?
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one has a molecular weight of 370.52 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxyoxolan-2-one is sourced from PubChem (CID 11440139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).