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

C28H42O2Si — CID 91732645

IUPAC(3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O2Si/c1-4-5-6-7-8-15-20-29-31(27-16-11-9-12-17-27,28-18-13-10-14-19-28)30-26-22-24(2)21-25(3)23-26/h9-14,16-19,24-26H,4-8,15,20-23H2,1-3H3
InChIKeyUTXJICDJGJMJJL-UHFFFAOYSA-N
MW438.73 g/mol
LogP6.46
Rot. Bonds12

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

(3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane (PubChem CID 91732645) has the molecular formula C28H42O2Si and a molecular weight of 438.73 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane
PubChem CID91732645
Molecular FormulaC28H42O2Si
Molecular Weight438.73 g/mol
Exact Mass438.30
IUPAC Name(3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O2Si/c1-4-5-6-7-8-15-20-29-31(27-16-11-9-12-17-27,28-18-13-10-14-19-28)30-26-22-24(2)21-25(3)23-26/h9-14,16-19,24-26H,4-8,15,20-23H2,1-3H3
InChIKeyUTXJICDJGJMJJL-UHFFFAOYSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 56.46
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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Related Compounds

cyclopentyloxy-octoxy-diphenylsilane
CID 91732637
butoxy-(4-methylcyclohexyl)oxy-diphenylsilane
CID 91741215
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane?
The IUPAC name of (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane (CID 91732645) is (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane.
What is the SMILES notation for (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane?
The canonical SMILES for (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane is CCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane?
The InChIKey is UTXJICDJGJMJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O2Si/c1-4-5-6-7-8-15-20-29-31(27-16-11-9-12-17-27,28-18-13-10-14-19-28)30-26-22-24(2)21-25(3)23-26/h9-14,16-19,24-26H,4-8,15,20-23H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane?
(3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane has a molecular weight of 438.73 g/mol, XLogP of 6.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)oxy-octoxy-diphenylsilane is sourced from PubChem (CID 91732645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).