(4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one

C20H24O3Si — CID 156730559

IUPAC(4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one
SMILESCC(C)(C)[Si](O[C@H]1COCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19-15-22-14-18(19)21/h4-13,19H,14-15H2,1-3H3/t19-/m0/s1
InChIKeyKIGFTIVOAGPZKL-IBGZPJMESA-N
MW340.50 g/mol
LogP2.53
Rot. Bonds4

About (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one

(4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one (PubChem CID 156730559) has the molecular formula C20H24O3Si and a molecular weight of 340.50 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one
PubChem CID156730559
Molecular FormulaC20H24O3Si
Molecular Weight340.50 g/mol
Exact Mass340.15
IUPAC Name(4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one
SMILESCC(C)(C)[Si](O[C@H]1COCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19-15-22-14-18(19)21/h4-13,19H,14-15H2,1-3H3/t19-/m0/s1
InChIKeyKIGFTIVOAGPZKL-IBGZPJMESA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one?
The IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one (CID 156730559) is (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one.
What is the SMILES notation for (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one?
The canonical SMILES for (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one is CC(C)(C)[Si](O[C@H]1COCC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one?
The InChIKey is KIGFTIVOAGPZKL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19-15-22-14-18(19)21/h4-13,19H,14-15H2,1-3H3/t19-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one?
(4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one has a molecular weight of 340.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-one is sourced from PubChem (CID 156730559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).