4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline

C20H35NOSi — CID 132967119

IUPAC4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H35NOSi/c1-20(2,3)23(6,7)22-19-11-9-8-10-18(19)16-12-14-17(15-13-16)21(4)5/h12-15,18-19H,8-11H2,1-7H3/t18-,19+/m0/s1
InChIKeyZPJQFRYLLLDCTG-RBUKOAKNSA-N
MW333.59 g/mol
LogP5.80
Rot. Bonds4

About 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline

4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline (PubChem CID 132967119) has the molecular formula C20H35NOSi and a molecular weight of 333.59 g/mol. Its IUPAC name is 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline
PubChem CID132967119
Molecular FormulaC20H35NOSi
Molecular Weight333.59 g/mol
Exact Mass333.25
IUPAC Name4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H35NOSi/c1-20(2,3)23(6,7)22-19-11-9-8-10-18(19)16-12-14-17(15-13-16)21(4)5/h12-15,18-19H,8-11H2,1-7H3/t18-,19+/m0/s1
InChIKeyZPJQFRYLLLDCTG-RBUKOAKNSA-N
XLogP5.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.59
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline (CID 132967119) is 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline is CN(C)c1ccc([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline?
The InChIKey is ZPJQFRYLLLDCTG-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H35NOSi/c1-20(2,3)23(6,7)22-19-11-9-8-10-18(19)16-12-14-17(15-13-16)21(4)5/h12-15,18-19H,8-11H2,1-7H3/t18-,19+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline?
4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline has a molecular weight of 333.59 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N,N-dimethylaniline is sourced from PubChem (CID 132967119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).