diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane

C31H52O2Si — CID 91717645

IUPACdiethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane
SMILESCCCCCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C31H52O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-26-32-34(5-2,6-3)33-28-29-24-25-30-22-19-20-23-31(30)27-29/h19-20,22-25,27H,4-18,21,26,28H2,1-3H3
InChIKeyRWJYVANUTALRAO-UHFFFAOYSA-N
MW484.84 g/mol
LogP10.34
Rot. Bonds21

About diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane

diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane (PubChem CID 91717645) has the molecular formula C31H52O2Si and a molecular weight of 484.84 g/mol. Its IUPAC name is diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane.

Molecular Properties

Compound Namediethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane
PubChem CID91717645
Molecular FormulaC31H52O2Si
Molecular Weight484.84 g/mol
Exact Mass484.37
IUPAC Namediethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane
SMILESCCCCCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C31H52O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-26-32-34(5-2,6-3)33-28-29-24-25-30-22-19-20-23-31(30)27-29/h19-20,22-25,27H,4-18,21,26,28H2,1-3H3
InChIKeyRWJYVANUTALRAO-UHFFFAOYSA-N
XLogP10.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.84
LogP ≤ 510.34
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-hexadecoxy-(naphthalen-2-ylmethoxy)silane?
The IUPAC name of diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane (CID 91717645) is diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane.
What is the SMILES notation for diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane?
The canonical SMILES for diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane is CCCCCCCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1.
What is the InChIKey of diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane?
The InChIKey is RWJYVANUTALRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-26-32-34(5-2,6-3)33-28-29-24-25-30-22-19-20-23-31(30)27-29/h19-20,22-25,27H,4-18,21,26,28H2,1-3H3.
What are the key properties of diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane?
diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane has a molecular weight of 484.84 g/mol, XLogP of 10.34, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hexadecoxy-(naphthalen-2-ylmethoxy)silane is sourced from PubChem (CID 91717645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).