methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate

C25H34O4Si — CID 14081022

IUPACmethyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate
SMILESCOC(=O)CC[C@@H](C)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1
InChIInChI=1S/C25H34O4Si/c1-20(16-17-23(26)27-5)25(18-28-25)19-29-30(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20H,16-19H2,1-5H3/t20-,25-/m1/s1
InChIKeyYRPWKOJQXQZCSN-CJFMBICVSA-N
MW426.63 g/mol
LogP3.92
Rot. Bonds9

About methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate

methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate (PubChem CID 14081022) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate.

Molecular Properties

Compound Namemethyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate
PubChem CID14081022
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Namemethyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate
SMILESCOC(=O)CC[C@@H](C)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1
InChIInChI=1S/C25H34O4Si/c1-20(16-17-23(26)27-5)25(18-28-25)19-29-30(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20H,16-19H2,1-5H3/t20-,25-/m1/s1
InChIKeyYRPWKOJQXQZCSN-CJFMBICVSA-N
XLogP3.92
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate 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 methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate?
The IUPAC name of methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate (CID 14081022) is methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate.
What is the SMILES notation for methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate?
The canonical SMILES for methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate is COC(=O)CC[C@@H](C)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1.
What is the InChIKey of methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate?
The InChIKey is YRPWKOJQXQZCSN-CJFMBICVSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-20(16-17-23(26)27-5)25(18-28-25)19-29-30(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20H,16-19H2,1-5H3/t20-,25-/m1/s1.
What are the key properties of methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate?
methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate has a molecular weight of 426.63 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]pentanoate is sourced from PubChem (CID 14081022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).