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

C21H38O2Si — CID 91731547

IUPACdiethyl-octoxy-(2-propan-2-ylphenoxy)silane
SMILESCCCCCCCCO[Si](CC)(CC)Oc1ccccc1C(C)C
InChIInChI=1S/C21H38O2Si/c1-6-9-10-11-12-15-18-22-24(7-2,8-3)23-21-17-14-13-16-20(21)19(4)5/h13-14,16-17,19H,6-12,15,18H2,1-5H3
InChIKeyZXIZWASFGJNLJV-UHFFFAOYSA-N
MW350.62 g/mol
LogP7.05
Rot. Bonds13

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

diethyl-octoxy-(2-propan-2-ylphenoxy)silane (PubChem CID 91731547) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is diethyl-octoxy-(2-propan-2-ylphenoxy)silane.

Molecular Properties

Compound Namediethyl-octoxy-(2-propan-2-ylphenoxy)silane
PubChem CID91731547
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Namediethyl-octoxy-(2-propan-2-ylphenoxy)silane
SMILESCCCCCCCCO[Si](CC)(CC)Oc1ccccc1C(C)C
InChIInChI=1S/C21H38O2Si/c1-6-9-10-11-12-15-18-22-24(7-2,8-3)23-21-17-14-13-16-20(21)19(4)5/h13-14,16-17,19H,6-12,15,18H2,1-5H3
InChIKeyZXIZWASFGJNLJV-UHFFFAOYSA-N
XLogP7.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 57.05
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-octoxy-(2-propan-2-ylphenoxy)silane?
The IUPAC name of diethyl-octoxy-(2-propan-2-ylphenoxy)silane (CID 91731547) is diethyl-octoxy-(2-propan-2-ylphenoxy)silane.
What is the SMILES notation for diethyl-octoxy-(2-propan-2-ylphenoxy)silane?
The canonical SMILES for diethyl-octoxy-(2-propan-2-ylphenoxy)silane is CCCCCCCCO[Si](CC)(CC)Oc1ccccc1C(C)C.
What is the InChIKey of diethyl-octoxy-(2-propan-2-ylphenoxy)silane?
The InChIKey is ZXIZWASFGJNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-6-9-10-11-12-15-18-22-24(7-2,8-3)23-21-17-14-13-16-20(21)19(4)5/h13-14,16-17,19H,6-12,15,18H2,1-5H3.
What are the key properties of diethyl-octoxy-(2-propan-2-ylphenoxy)silane?
diethyl-octoxy-(2-propan-2-ylphenoxy)silane has a molecular weight of 350.62 g/mol, XLogP of 7.05, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-octoxy-(2-propan-2-ylphenoxy)silane is sourced from PubChem (CID 91731547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).