tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane

C16H30ClNOSi — CID 10990704

IUPACtert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(N2CCCC2)C(Cl)C1
InChIInChI=1S/C16H30ClNOSi/c1-16(2,3)20(4,5)19-13-8-9-15(14(17)12-13)18-10-6-7-11-18/h9,13-14H,6-8,10-12H2,1-5H3
InChIKeyZITSAUHYJIHREL-UHFFFAOYSA-N
MW315.96 g/mol
LogP4.76
Rot. Bonds3

About tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane

tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane (PubChem CID 10990704) has the molecular formula C16H30ClNOSi and a molecular weight of 315.96 g/mol. Its IUPAC name is tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane
PubChem CID10990704
Molecular FormulaC16H30ClNOSi
Molecular Weight315.96 g/mol
Exact Mass315.18
IUPAC Nametert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(N2CCCC2)C(Cl)C1
InChIInChI=1S/C16H30ClNOSi/c1-16(2,3)20(4,5)19-13-8-9-15(14(17)12-13)18-10-6-7-11-18/h9,13-14H,6-8,10-12H2,1-5H3
InChIKeyZITSAUHYJIHREL-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.96
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 142783605
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
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1-(6-chlorocyclohexen-1-yl)piperidine
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CID 102052246
tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane
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6-[3-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]pyridazin-3-amine
CID 140876676
[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane
CID 168964353
(2R,6R,7R,8S,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-iodo-7-methoxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 50936836
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane (CID 10990704) is tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC=C(N2CCCC2)C(Cl)C1.
What is the InChIKey of tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The InChIKey is ZITSAUHYJIHREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNOSi/c1-16(2,3)20(4,5)19-13-8-9-15(14(17)12-13)18-10-6-7-11-18/h9,13-14H,6-8,10-12H2,1-5H3.
What are the key properties of tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane?
tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane has a molecular weight of 315.96 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-chloro-4-pyrrolidin-1-ylcyclohex-3-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 10990704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).