(4-methylcyclohexyl)oxy-nonoxy-diphenylsilane

C28H42O2Si — CID 91732772

IUPAC(4-methylcyclohexyl)oxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O2Si/c1-3-4-5-6-7-8-15-24-29-31(27-16-11-9-12-17-27,28-18-13-10-14-19-28)30-26-22-20-25(2)21-23-26/h9-14,16-19,25-26H,3-8,15,20-24H2,1-2H3
InChIKeyBDYVRAHFRURHNE-UHFFFAOYSA-N
MW438.73 g/mol
LogP6.61
Rot. Bonds13

About (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane

(4-methylcyclohexyl)oxy-nonoxy-diphenylsilane (PubChem CID 91732772) has the molecular formula C28H42O2Si and a molecular weight of 438.73 g/mol. Its IUPAC name is (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane.

Molecular Properties

Compound Name(4-methylcyclohexyl)oxy-nonoxy-diphenylsilane
PubChem CID91732772
Molecular FormulaC28H42O2Si
Molecular Weight438.73 g/mol
Exact Mass438.30
IUPAC Name(4-methylcyclohexyl)oxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O2Si/c1-3-4-5-6-7-8-15-24-29-31(27-16-11-9-12-17-27,28-18-13-10-14-19-28)30-26-22-20-25(2)21-23-26/h9-14,16-19,25-26H,3-8,15,20-24H2,1-2H3
InChIKeyBDYVRAHFRURHNE-UHFFFAOYSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-methylcyclohexyl)oxy-nonoxy-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 (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane?
The IUPAC name of (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane (CID 91732772) is (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane.
What is the SMILES notation for (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane?
The canonical SMILES for (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane is CCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane?
The InChIKey is BDYVRAHFRURHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O2Si/c1-3-4-5-6-7-8-15-24-29-31(27-16-11-9-12-17-27,28-18-13-10-14-19-28)30-26-22-20-25(2)21-23-26/h9-14,16-19,25-26H,3-8,15,20-24H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane?
(4-methylcyclohexyl)oxy-nonoxy-diphenylsilane has a molecular weight of 438.73 g/mol, XLogP of 6.61, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)oxy-nonoxy-diphenylsilane is sourced from PubChem (CID 91732772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).