decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane

C30H48O2Si — CID 91743177

IUPACdecoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
SMILESCCCCCCCCCCO[Si](OCC(C)CC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H48O2Si/c1-6-7-8-9-10-11-12-19-24-31-33(28-20-15-13-16-21-28,29-22-17-14-18-23-29)32-26-27(2)25-30(3,4)5/h13-18,20-23,27H,6-12,19,24-26H2,1-5H3
InChIKeyCOBQTDWORQVEEG-UHFFFAOYSA-N
MW468.80 g/mol
LogP7.49
Rot. Bonds16

About decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane

decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane (PubChem CID 91743177) has the molecular formula C30H48O2Si and a molecular weight of 468.80 g/mol. Its IUPAC name is decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane.

Molecular Properties

Compound Namedecoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
PubChem CID91743177
Molecular FormulaC30H48O2Si
Molecular Weight468.80 g/mol
Exact Mass468.34
IUPAC Namedecoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
SMILESCCCCCCCCCCO[Si](OCC(C)CC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H48O2Si/c1-6-7-8-9-10-11-12-19-24-31-33(28-20-15-13-16-21-28,29-22-17-14-18-23-29)32-26-27(2)25-30(3,4)5/h13-18,20-23,27H,6-12,19,24-26H2,1-5H3
InChIKeyCOBQTDWORQVEEG-UHFFFAOYSA-N
XLogP7.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 57.49
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

2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
CID 91732710
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane
CID 91733049

Frequently Asked Questions

What is the IUPAC name of decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane?
The IUPAC name of decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane (CID 91743177) is decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane.
What is the SMILES notation for decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane?
The canonical SMILES for decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane is CCCCCCCCCCO[Si](OCC(C)CC(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane?
The InChIKey is COBQTDWORQVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O2Si/c1-6-7-8-9-10-11-12-19-24-31-33(28-20-15-13-16-21-28,29-22-17-14-18-23-29)32-26-27(2)25-30(3,4)5/h13-18,20-23,27H,6-12,19,24-26H2,1-5H3.
What are the key properties of decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane?
decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane has a molecular weight of 468.80 g/mol, XLogP of 7.49, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane is sourced from PubChem (CID 91743177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).