(3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane

C29H44O2Si — CID 91732643

IUPAC(3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O2Si/c1-4-5-6-7-8-9-16-21-30-32(28-17-12-10-13-18-28,29-19-14-11-15-20-29)31-27-23-25(2)22-26(3)24-27/h10-15,17-20,25-27H,4-9,16,21-24H2,1-3H3
InChIKeySVYXMYYDXAIRAH-UHFFFAOYSA-N
MW452.76 g/mol
LogP6.85
Rot. Bonds13

About (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane

(3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane (PubChem CID 91732643) has the molecular formula C29H44O2Si and a molecular weight of 452.76 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane
PubChem CID91732643
Molecular FormulaC29H44O2Si
Molecular Weight452.76 g/mol
Exact Mass452.31
IUPAC Name(3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O2Si/c1-4-5-6-7-8-9-16-21-30-32(28-17-12-10-13-18-28,29-19-14-11-15-20-29)31-27-23-25(2)22-26(3)24-27/h10-15,17-20,25-27H,4-9,16,21-24H2,1-3H3
InChIKeySVYXMYYDXAIRAH-UHFFFAOYSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 56.85
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'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane?
The IUPAC name of (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane (CID 91732643) is (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane.
What is the SMILES notation for (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane?
The canonical SMILES for (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane is CCCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane?
The InChIKey is SVYXMYYDXAIRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2Si/c1-4-5-6-7-8-9-16-21-30-32(28-17-12-10-13-18-28,29-19-14-11-15-20-29)31-27-23-25(2)22-26(3)24-27/h10-15,17-20,25-27H,4-9,16,21-24H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane?
(3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane has a molecular weight of 452.76 g/mol, XLogP of 6.85, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)oxy-nonoxy-diphenylsilane is sourced from PubChem (CID 91732643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).