tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane

C16H26ClNOSi — CID 132967124

IUPACtert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]1c1ccc(Cl)nc1
InChIInChI=1S/C16H26ClNOSi/c1-16(2,3)20(4,5)19-14-8-6-7-13(14)12-9-10-15(17)18-11-12/h9-11,13-14H,6-8H2,1-5H3/t13-,14+/m0/s1
InChIKeyFEFOTSKRJCWKPA-UONOGXRCSA-N
MW311.93 g/mol
LogP5.39
Rot. Bonds3

About tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane

tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane (PubChem CID 132967124) has the molecular formula C16H26ClNOSi and a molecular weight of 311.93 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane
PubChem CID132967124
Molecular FormulaC16H26ClNOSi
Molecular Weight311.93 g/mol
Exact Mass311.15
IUPAC Nametert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]1c1ccc(Cl)nc1
InChIInChI=1S/C16H26ClNOSi/c1-16(2,3)20(4,5)19-14-8-6-7-13(14)12-9-10-15(17)18-11-12/h9-11,13-14H,6-8H2,1-5H3/t13-,14+/m0/s1
InChIKeyFEFOTSKRJCWKPA-UONOGXRCSA-N
XLogP5.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.93
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane (CID 132967124) is tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]1c1ccc(Cl)nc1.
What is the InChIKey of tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane?
The InChIKey is FEFOTSKRJCWKPA-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26ClNOSi/c1-16(2,3)20(4,5)19-14-8-6-7-13(14)12-9-10-15(17)18-11-12/h9-11,13-14H,6-8H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane has a molecular weight of 311.93 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 132967124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).