tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane

C20H26O3Si — CID 139756843

IUPACtert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCC1COCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-17-14-21-16-22-17/h4-13,17H,14-16H2,1-3H3
InChIKeyLAOWKMKQBDSGAY-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.94
Rot. Bonds5

About tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane

tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane (PubChem CID 139756843) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane
PubChem CID139756843
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Nametert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCC1COCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-17-14-21-16-22-17/h4-13,17H,14-16H2,1-3H3
InChIKeyLAOWKMKQBDSGAY-UHFFFAOYSA-N
XLogP2.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.94
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 tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane (CID 139756843) is tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane is CC(C)(C)[Si](OCC1COCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane?
The InChIKey is LAOWKMKQBDSGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-17-14-21-16-22-17/h4-13,17H,14-16H2,1-3H3.
What are the key properties of tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane?
tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane has a molecular weight of 342.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane is sourced from PubChem (CID 139756843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).