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

C23H30O4Si — CID 71490665

IUPAC(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one
SMILESCC(C)(C)[Si](OCC[C@H]1C[C@H](O)CC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O4Si/c1-23(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-15-14-19-16-18(24)17-22(25)27-19/h4-13,18-19,24H,14-17H2,1-3H3/t18-,19-/m0/s1
InChIKeyAGBADEFXDBPWOR-OALUTQOASA-N
MW398.58 g/mol
LogP3.02
Rot. Bonds6

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

(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one (PubChem CID 71490665) has the molecular formula C23H30O4Si and a molecular weight of 398.58 g/mol. Its IUPAC name is (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one
PubChem CID71490665
Molecular FormulaC23H30O4Si
Molecular Weight398.58 g/mol
Exact Mass398.19
IUPAC Name(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one
SMILESCC(C)(C)[Si](OCC[C@H]1C[C@H](O)CC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O4Si/c1-23(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-15-14-19-16-18(24)17-22(25)27-19/h4-13,18-19,24H,14-17H2,1-3H3/t18-,19-/m0/s1
InChIKeyAGBADEFXDBPWOR-OALUTQOASA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one (CID 71490665) is (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one is CC(C)(C)[Si](OCC[C@H]1C[C@H](O)CC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one?
The InChIKey is AGBADEFXDBPWOR-OALUTQOASA-N. The full InChI is InChI=1S/C23H30O4Si/c1-23(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-15-14-19-16-18(24)17-22(25)27-19/h4-13,18-19,24H,14-17H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one?
(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one has a molecular weight of 398.58 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 71490665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).