(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one

C24H30O3Si — CID 15748771

IUPAC(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H30O3Si/c1-18(2)21-16-23(25)27-22(21)17-26-28(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22H,1,16-17H2,2-5H3/t21-,22-/m1/s1
InChIKeyPRASHWOKGMZNCM-FGZHOGPDSA-N
MW394.59 g/mol
LogP4.07
Rot. Bonds6

About (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one

(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one (PubChem CID 15748771) has the molecular formula C24H30O3Si and a molecular weight of 394.59 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one
PubChem CID15748771
Molecular FormulaC24H30O3Si
Molecular Weight394.59 g/mol
Exact Mass394.20
IUPAC Name(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H30O3Si/c1-18(2)21-16-23(25)27-22(21)17-26-28(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22H,1,16-17H2,2-5H3/t21-,22-/m1/s1
InChIKeyPRASHWOKGMZNCM-FGZHOGPDSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one?
The IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one (CID 15748771) is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one is C=C(C)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one?
The InChIKey is PRASHWOKGMZNCM-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H30O3Si/c1-18(2)21-16-23(25)27-22(21)17-26-28(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22H,1,16-17H2,2-5H3/t21-,22-/m1/s1.
What are the key properties of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one?
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one has a molecular weight of 394.59 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 15748771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).