(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one

C22H28O4Si — CID 163054050

IUPAC(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
SMILESCC(C)(C)[Si](OCC1C[C@H](O)CC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O4Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(23)15-21(24)26-18/h4-13,17-18,23H,14-16H2,1-3H3/t17-,18?/m0/s1
InChIKeyDDGWBTMBQOVSJP-ZENAZSQFSA-N
MW384.55 g/mol
LogP2.63
Rot. Bonds5

About (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one

(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one (PubChem CID 163054050) has the molecular formula C22H28O4Si and a molecular weight of 384.55 g/mol. Its IUPAC name is (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
PubChem CID163054050
Molecular FormulaC22H28O4Si
Molecular Weight384.55 g/mol
Exact Mass384.18
IUPAC Name(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
SMILESCC(C)(C)[Si](OCC1C[C@H](O)CC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O4Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(23)15-21(24)26-18/h4-13,17-18,23H,14-16H2,1-3H3/t17-,18?/m0/s1
InChIKeyDDGWBTMBQOVSJP-ZENAZSQFSA-N
XLogP2.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 52.63
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,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one
CID 162995378
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(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
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one
CID 15748769
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(3aS,4S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139025697
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 19358695
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767

Frequently Asked Questions

What is the IUPAC name of (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one (CID 163054050) is (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one is CC(C)(C)[Si](OCC1C[C@H](O)CC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one?
The InChIKey is DDGWBTMBQOVSJP-ZENAZSQFSA-N. The full InChI is InChI=1S/C22H28O4Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(23)15-21(24)26-18/h4-13,17-18,23H,14-16H2,1-3H3/t17-,18?/m0/s1.
What are the key properties of (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one?
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one has a molecular weight of 384.55 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 163054050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).