tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane

C20H34O3Si — CID 132967115

IUPACtert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane
SMILESCOc1cc(OC)cc([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C20H34O3Si/c1-20(2,3)24(6,7)23-19-11-9-8-10-18(19)15-12-16(21-4)14-17(13-15)22-5/h12-14,18-19H,8-11H2,1-7H3/t18-,19+/m0/s1
InChIKeyFAFNOYANKQFZSV-RBUKOAKNSA-N
MW350.57 g/mol
LogP5.75
Rot. Bonds5

About tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane (PubChem CID 132967115) has the molecular formula C20H34O3Si and a molecular weight of 350.57 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane
PubChem CID132967115
Molecular FormulaC20H34O3Si
Molecular Weight350.57 g/mol
Exact Mass350.23
IUPAC Nametert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane
SMILESCOc1cc(OC)cc([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C20H34O3Si/c1-20(2,3)24(6,7)23-19-11-9-8-10-18(19)15-12-16(21-4)14-17(13-15)22-5/h12-14,18-19H,8-11H2,1-7H3/t18-,19+/m0/s1
InChIKeyFAFNOYANKQFZSV-RBUKOAKNSA-N
XLogP5.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane (CID 132967115) is tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane is COc1cc(OC)cc([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane?
The InChIKey is FAFNOYANKQFZSV-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-20(2,3)24(6,7)23-19-11-9-8-10-18(19)15-12-16(21-4)14-17(13-15)22-5/h12-14,18-19H,8-11H2,1-7H3/t18-,19+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane has a molecular weight of 350.57 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-(3,5-dimethoxyphenyl)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 132967115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).