tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane

C25H34O4Si — CID 57386213

IUPACtert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
SMILESCC1(C)O[C@@H](CC2CO2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H34O4Si/c1-24(2,3)30(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-18-23-22(16-19-17-26-19)28-25(4,5)29-23/h6-15,19,22-23H,16-18H2,1-5H3/t19?,22-,23+/m0/s1
InChIKeyDUPVWFSQLFYRGE-NWZLQDFTSA-N
MW426.63 g/mol
LogP3.87
Rot. Bonds7

About tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane

tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane (PubChem CID 57386213) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
PubChem CID57386213
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Nametert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
SMILESCC1(C)O[C@@H](CC2CO2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C25H34O4Si/c1-24(2,3)30(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-18-23-22(16-19-17-26-19)28-25(4,5)29-23/h6-15,19,22-23H,16-18H2,1-5H3/t19?,22-,23+/m0/s1
InChIKeyDUPVWFSQLFYRGE-NWZLQDFTSA-N
XLogP3.87
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.87
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane (CID 57386213) is tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane is CC1(C)O[C@@H](CC2CO2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The InChIKey is DUPVWFSQLFYRGE-NWZLQDFTSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-24(2,3)30(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-18-23-22(16-19-17-26-19)28-25(4,5)29-23/h6-15,19,22-23H,16-18H2,1-5H3/t19?,22-,23+/m0/s1.
What are the key properties of tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane has a molecular weight of 426.63 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R,5S)-2,2-dimethyl-5-(oxiran-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 57386213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).