diethyl-pentadecoxy-(4-phenylphenoxy)silane

C31H50O2Si — CID 91745749

IUPACdiethyl-pentadecoxy-(4-phenylphenoxy)silane
SMILESCCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H50O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-28-32-34(5-2,6-3)33-31-26-24-30(25-27-31)29-22-19-18-20-23-29/h18-20,22-27H,4-17,21,28H2,1-3H3
InChIKeyOFMAVKSSCGKGFX-UHFFFAOYSA-N
MW482.83 g/mol
LogP10.32
Rot. Bonds20

About diethyl-pentadecoxy-(4-phenylphenoxy)silane

diethyl-pentadecoxy-(4-phenylphenoxy)silane (PubChem CID 91745749) has the molecular formula C31H50O2Si and a molecular weight of 482.83 g/mol. Its IUPAC name is diethyl-pentadecoxy-(4-phenylphenoxy)silane.

Molecular Properties

Compound Namediethyl-pentadecoxy-(4-phenylphenoxy)silane
PubChem CID91745749
Molecular FormulaC31H50O2Si
Molecular Weight482.83 g/mol
Exact Mass482.36
IUPAC Namediethyl-pentadecoxy-(4-phenylphenoxy)silane
SMILESCCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H50O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-28-32-34(5-2,6-3)33-31-26-24-30(25-27-31)29-22-19-18-20-23-29/h18-20,22-27H,4-17,21,28H2,1-3H3
InChIKeyOFMAVKSSCGKGFX-UHFFFAOYSA-N
XLogP10.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.83
LogP ≤ 510.32
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-pentadecoxy-(4-phenylphenoxy)silane?
The IUPAC name of diethyl-pentadecoxy-(4-phenylphenoxy)silane (CID 91745749) is diethyl-pentadecoxy-(4-phenylphenoxy)silane.
What is the SMILES notation for diethyl-pentadecoxy-(4-phenylphenoxy)silane?
The canonical SMILES for diethyl-pentadecoxy-(4-phenylphenoxy)silane is CCCCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of diethyl-pentadecoxy-(4-phenylphenoxy)silane?
The InChIKey is OFMAVKSSCGKGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-28-32-34(5-2,6-3)33-31-26-24-30(25-27-31)29-22-19-18-20-23-29/h18-20,22-27H,4-17,21,28H2,1-3H3.
What are the key properties of diethyl-pentadecoxy-(4-phenylphenoxy)silane?
diethyl-pentadecoxy-(4-phenylphenoxy)silane has a molecular weight of 482.83 g/mol, XLogP of 10.32, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-pentadecoxy-(4-phenylphenoxy)silane is sourced from PubChem (CID 91745749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).