methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane

C20H26OSi — CID 15358388

IUPACmethyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane
SMILESC[C@H]1CCCC[C@H]1O[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26OSi/c1-17-11-9-10-16-20(17)21-22(2,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17,20H,9-11,16H2,1-2H3/t17-,20+/m0/s1
InChIKeyASHFVEBMVOKLCJ-FXAWDEMLSA-N
MW310.51 g/mol
LogP3.97
Rot. Bonds4

About methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane

methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane (PubChem CID 15358388) has the molecular formula C20H26OSi and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane.

Molecular Properties

Compound Namemethyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane
PubChem CID15358388
Molecular FormulaC20H26OSi
Molecular Weight310.51 g/mol
Exact Mass310.18
IUPAC Namemethyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane
SMILESC[C@H]1CCCC[C@H]1O[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26OSi/c1-17-11-9-10-16-20(17)21-22(2,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17,20H,9-11,16H2,1-2H3/t17-,20+/m0/s1
InChIKeyASHFVEBMVOKLCJ-FXAWDEMLSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane 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 methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane?
The IUPAC name of methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane (CID 15358388) is methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane.
What is the SMILES notation for methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane?
The canonical SMILES for methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane is C[C@H]1CCCC[C@H]1O[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane?
The InChIKey is ASHFVEBMVOKLCJ-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H26OSi/c1-17-11-9-10-16-20(17)21-22(2,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17,20H,9-11,16H2,1-2H3/t17-,20+/m0/s1.
What are the key properties of methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane?
methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane has a molecular weight of 310.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1R,2S)-2-methylcyclohexyl]oxy-diphenylsilane is sourced from PubChem (CID 15358388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).