(4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

C25H34O3Si — CID 146020109

IUPAC(4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCCCC[C@@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3Si/c1-5-6-13-20-18-24(26)28-23(20)19-27-29(25(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,20,23H,5-6,13,18-19H2,1-4H3/t20-,23-/m1/s1
InChIKeyUYSALNBKFYCDKY-NFBKMPQASA-N
MW410.63 g/mol
LogP4.68
Rot. Bonds8

About (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

(4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 146020109) has the molecular formula C25H34O3Si and a molecular weight of 410.63 g/mol. Its IUPAC name is (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
PubChem CID146020109
Molecular FormulaC25H34O3Si
Molecular Weight410.63 g/mol
Exact Mass410.23
IUPAC Name(4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCCCC[C@@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3Si/c1-5-6-13-20-18-24(26)28-23(20)19-27-29(25(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,20,23H,5-6,13,18-19H2,1-4H3/t20-,23-/m1/s1
InChIKeyUYSALNBKFYCDKY-NFBKMPQASA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 54.68
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 (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (CID 146020109) is (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is CCCC[C@@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is UYSALNBKFYCDKY-NFBKMPQASA-N. The full InChI is InChI=1S/C25H34O3Si/c1-5-6-13-20-18-24(26)28-23(20)19-27-29(25(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,20,23H,5-6,13,18-19H2,1-4H3/t20-,23-/m1/s1.
What are the key properties of (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
(4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one has a molecular weight of 410.63 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 146020109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).