tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane

C29H40O4Si — CID 101097657

IUPACtert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
SMILESCC(C)(C)[Si](OCCC1CCC2(CCC3(CCCCO3)O2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H40O4Si/c1-27(2,3)34(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-23-17-24-16-19-29(32-24)21-20-28(33-29)18-10-11-22-30-28/h4-9,12-15,24H,10-11,16-23H2,1-3H3
InChIKeyKEPXMBIBDYJHDP-UHFFFAOYSA-N
MW480.72 g/mol
LogP5.54
Rot. Bonds6

About tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane

tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane (PubChem CID 101097657) has the molecular formula C29H40O4Si and a molecular weight of 480.72 g/mol. Its IUPAC name is tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
PubChem CID101097657
Molecular FormulaC29H40O4Si
Molecular Weight480.72 g/mol
Exact Mass480.27
IUPAC Nametert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
SMILESCC(C)(C)[Si](OCCC1CCC2(CCC3(CCCCO3)O2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H40O4Si/c1-27(2,3)34(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-23-17-24-16-19-29(32-24)21-20-28(33-29)18-10-11-22-30-28/h4-9,12-15,24H,10-11,16-23H2,1-3H3
InChIKeyKEPXMBIBDYJHDP-UHFFFAOYSA-N
XLogP5.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.72
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane (CID 101097657) is tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane is CC(C)(C)[Si](OCCC1CCC2(CCC3(CCCCO3)O2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane?
The InChIKey is KEPXMBIBDYJHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O4Si/c1-27(2,3)34(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-23-17-24-16-19-29(32-24)21-20-28(33-29)18-10-11-22-30-28/h4-9,12-15,24H,10-11,16-23H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane?
tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane has a molecular weight of 480.72 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane is sourced from PubChem (CID 101097657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).