diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane

C19H34O2Si — CID 91731527

IUPACdiethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane
SMILESCC[Si](CC)(OCCCC(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H34O2Si/c1-7-22(8-2,20-15-11-12-16(3)4)21-19-14-10-9-13-18(19)17(5)6/h9-10,13-14,16-17H,7-8,11-12,15H2,1-6H3
InChIKeyRZTCAWUAPFFKGI-UHFFFAOYSA-N
MW322.57 g/mol
LogP6.12
Rot. Bonds10

About diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane

diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane (PubChem CID 91731527) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane.

Molecular Properties

Compound Namediethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane
PubChem CID91731527
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Namediethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane
SMILESCC[Si](CC)(OCCCC(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H34O2Si/c1-7-22(8-2,20-15-11-12-16(3)4)21-19-14-10-9-13-18(19)17(5)6/h9-10,13-14,16-17H,7-8,11-12,15H2,1-6H3
InChIKeyRZTCAWUAPFFKGI-UHFFFAOYSA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 56.12
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 diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane?
The IUPAC name of diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane (CID 91731527) is diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane.
What is the SMILES notation for diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane?
The canonical SMILES for diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane is CC[Si](CC)(OCCCC(C)C)Oc1ccccc1C(C)C.
What is the InChIKey of diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane?
The InChIKey is RZTCAWUAPFFKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-7-22(8-2,20-15-11-12-16(3)4)21-19-14-10-9-13-18(19)17(5)6/h9-10,13-14,16-17H,7-8,11-12,15H2,1-6H3.
What are the key properties of diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane?
diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane has a molecular weight of 322.57 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-methylpentoxy)-(2-propan-2-ylphenoxy)silane is sourced from PubChem (CID 91731527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).