tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane

C24H32O3Si — CID 164625594

IUPACtert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane
SMILESC=CCC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1
InChIInChI=1S/C24H32O3Si/c1-5-12-20-19-21(27-26-20)17-18-25-28(24(2,3)4,22-13-8-6-9-14-22)23-15-10-7-11-16-23/h5-11,13-16,20-21H,1,12,17-19H2,2-4H3
InChIKeyKKJVSGMAQKOBTA-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.62
Rot. Bonds8

About tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane

tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane (PubChem CID 164625594) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane
PubChem CID164625594
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Nametert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane
SMILESC=CCC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1
InChIInChI=1S/C24H32O3Si/c1-5-12-20-19-21(27-26-20)17-18-25-28(24(2,3)4,22-13-8-6-9-14-22)23-15-10-7-11-16-23/h5-11,13-16,20-21H,1,12,17-19H2,2-4H3
InChIKeyKKJVSGMAQKOBTA-UHFFFAOYSA-N
XLogP4.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.62
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane (CID 164625594) is tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane is C=CCC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1.
What is the InChIKey of tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane?
The InChIKey is KKJVSGMAQKOBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-5-12-20-19-21(27-26-20)17-18-25-28(24(2,3)4,22-13-8-6-9-14-22)23-15-10-7-11-16-23/h5-11,13-16,20-21H,1,12,17-19H2,2-4H3.
What are the key properties of tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane?
tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane has a molecular weight of 396.60 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane is sourced from PubChem (CID 164625594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).