tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane

C25H34INO2Si — CID 156730727

IUPACtert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1COCC1N1CCC(I)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34INO2Si/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-24-19-28-18-23(24)27-16-14-20(26)15-17-27/h4-13,20,23-24H,14-19H2,1-3H3
InChIKeyKHMLLUARLQRQIQ-UHFFFAOYSA-N
MW535.54 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane

tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane (PubChem CID 156730727) has the molecular formula C25H34INO2Si and a molecular weight of 535.54 g/mol. Its IUPAC name is tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane
PubChem CID156730727
Molecular FormulaC25H34INO2Si
Molecular Weight535.54 g/mol
Exact Mass535.14
IUPAC Nametert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1COCC1N1CCC(I)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34INO2Si/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-24-19-28-18-23(24)27-16-14-20(26)15-17-27/h4-13,20,23-24H,14-19H2,1-3H3
InChIKeyKHMLLUARLQRQIQ-UHFFFAOYSA-N
XLogP4.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane (CID 156730727) is tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane is CC(C)(C)[Si](OC1COCC1N1CCC(I)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane?
The InChIKey is KHMLLUARLQRQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34INO2Si/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-24-19-28-18-23(24)27-16-14-20(26)15-17-27/h4-13,20,23-24H,14-19H2,1-3H3.
What are the key properties of tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane?
tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane has a molecular weight of 535.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 156730727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).