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

C26H36INO2Si — CID 156730757

IUPACtert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane
SMILESCC1(N2CCC(I)CC2)COCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36INO2Si/c1-25(2,3)31(22-11-7-5-8-12-22,23-13-9-6-10-14-23)30-24-19-29-20-26(24,4)28-17-15-21(27)16-18-28/h5-14,21,24H,15-20H2,1-4H3
InChIKeyCGHBHHIOYCSVRK-UHFFFAOYSA-N
MW549.57 g/mol
LogP4.62
Rot. Bonds5

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

tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane (PubChem CID 156730757) has the molecular formula C26H36INO2Si and a molecular weight of 549.57 g/mol. Its IUPAC name is tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane
PubChem CID156730757
Molecular FormulaC26H36INO2Si
Molecular Weight549.57 g/mol
Exact Mass549.16
IUPAC Nametert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane
SMILESCC1(N2CCC(I)CC2)COCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36INO2Si/c1-25(2,3)31(22-11-7-5-8-12-22,23-13-9-6-10-14-23)30-24-19-29-20-26(24,4)28-17-15-21(27)16-18-28/h5-14,21,24H,15-20H2,1-4H3
InChIKeyCGHBHHIOYCSVRK-UHFFFAOYSA-N
XLogP4.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.57
LogP ≤ 54.62
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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Related Compounds

4-[1-[(3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-2-nitrophenol
CID 170677638
tert-butyl (3S)-4-[(3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-3-methylpiperazine-1-carboxylate
CID 163277617
6-[(3S,4R)-1-[(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-3-fluoropiperidin-4-yl]-7-chloroisoquinolin-3-amine
CID 172536264
6-[4-[(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperazin-1-yl]-7-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)isoquinolin-3-amine
CID 175712635
N-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpropane-2-sulfinamide
CID 165411713
N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 172536577
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
CID 152599118
tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
CID 146029391
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
N-[6-[(2S)-4-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-2-methylpiperazin-1-yl]-7-chloroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 163277520

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane (CID 156730757) is tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane is CC1(N2CCC(I)CC2)COCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane?
The InChIKey is CGHBHHIOYCSVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36INO2Si/c1-25(2,3)31(22-11-7-5-8-12-22,23-13-9-6-10-14-23)30-24-19-29-20-26(24,4)28-17-15-21(27)16-18-28/h5-14,21,24H,15-20H2,1-4H3.
What are the key properties of tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane?
tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane has a molecular weight of 549.57 g/mol, XLogP of 4.62, 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)-4-methyloxolan-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 156730757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).