diethyl-nonoxy-(2-propan-2-ylphenoxy)silane

C22H40O2Si — CID 91731561

IUPACdiethyl-nonoxy-(2-propan-2-ylphenoxy)silane
SMILESCCCCCCCCCO[Si](CC)(CC)Oc1ccccc1C(C)C
InChIInChI=1S/C22H40O2Si/c1-6-9-10-11-12-13-16-19-23-25(7-2,8-3)24-22-18-15-14-17-21(22)20(4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChIKeyDFIAQRBMPBTUBO-UHFFFAOYSA-N
MW364.65 g/mol
LogP7.44
Rot. Bonds14

About diethyl-nonoxy-(2-propan-2-ylphenoxy)silane

diethyl-nonoxy-(2-propan-2-ylphenoxy)silane (PubChem CID 91731561) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is diethyl-nonoxy-(2-propan-2-ylphenoxy)silane.

Molecular Properties

Compound Namediethyl-nonoxy-(2-propan-2-ylphenoxy)silane
PubChem CID91731561
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Namediethyl-nonoxy-(2-propan-2-ylphenoxy)silane
SMILESCCCCCCCCCO[Si](CC)(CC)Oc1ccccc1C(C)C
InChIInChI=1S/C22H40O2Si/c1-6-9-10-11-12-13-16-19-23-25(7-2,8-3)24-22-18-15-14-17-21(22)20(4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3
InChIKeyDFIAQRBMPBTUBO-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 57.44
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-nonoxy-(2-propan-2-ylphenoxy)silane?
The IUPAC name of diethyl-nonoxy-(2-propan-2-ylphenoxy)silane (CID 91731561) is diethyl-nonoxy-(2-propan-2-ylphenoxy)silane.
What is the SMILES notation for diethyl-nonoxy-(2-propan-2-ylphenoxy)silane?
The canonical SMILES for diethyl-nonoxy-(2-propan-2-ylphenoxy)silane is CCCCCCCCCO[Si](CC)(CC)Oc1ccccc1C(C)C.
What is the InChIKey of diethyl-nonoxy-(2-propan-2-ylphenoxy)silane?
The InChIKey is DFIAQRBMPBTUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-6-9-10-11-12-13-16-19-23-25(7-2,8-3)24-22-18-15-14-17-21(22)20(4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3.
What are the key properties of diethyl-nonoxy-(2-propan-2-ylphenoxy)silane?
diethyl-nonoxy-(2-propan-2-ylphenoxy)silane has a molecular weight of 364.65 g/mol, XLogP of 7.44, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-nonoxy-(2-propan-2-ylphenoxy)silane is sourced from PubChem (CID 91731561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).