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

C19H32O2Si — CID 132967116

IUPACtert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane
SMILESCOc1cccc([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H32O2Si/c1-19(2,3)22(5,6)21-18-13-8-7-12-17(18)15-10-9-11-16(14-15)20-4/h9-11,14,17-18H,7-8,12-13H2,1-6H3/t17-,18+/m0/s1
InChIKeyHVMQPWDQAHQANG-ZWKOTPCHSA-N
MW320.55 g/mol
LogP5.74
Rot. Bonds4

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

tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane (PubChem CID 132967116) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane
PubChem CID132967116
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Nametert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane
SMILESCOc1cccc([C@@H]2CCCC[C@H]2O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H32O2Si/c1-19(2,3)22(5,6)21-18-13-8-7-12-17(18)15-10-9-11-16(14-15)20-4/h9-11,14,17-18H,7-8,12-13H2,1-6H3/t17-,18+/m0/s1
InChIKeyHVMQPWDQAHQANG-ZWKOTPCHSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane (CID 132967116) is tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane is COc1cccc([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-methoxyphenyl)cyclohexyl]oxy-dimethylsilane?
The InChIKey is HVMQPWDQAHQANG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-19(2,3)22(5,6)21-18-13-8-7-12-17(18)15-10-9-11-16(14-15)20-4/h9-11,14,17-18H,7-8,12-13H2,1-6H3/t17-,18+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S)-2-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane has a molecular weight of 320.55 g/mol, XLogP of 5.74, 4 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-(3-methoxyphenyl)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 132967116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).