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

C25H40O2Si — CID 91717632

IUPACdecoxy-diethyl-(naphthalen-2-ylmethoxy)silane
SMILESCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C25H40O2Si/c1-4-7-8-9-10-11-12-15-20-26-28(5-2,6-3)27-22-23-18-19-24-16-13-14-17-25(24)21-23/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3
InChIKeyPSAGEGNHLAPKQS-UHFFFAOYSA-N
MW400.68 g/mol
LogP8.00
Rot. Bonds15

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

decoxy-diethyl-(naphthalen-2-ylmethoxy)silane (PubChem CID 91717632) has the molecular formula C25H40O2Si and a molecular weight of 400.68 g/mol. Its IUPAC name is decoxy-diethyl-(naphthalen-2-ylmethoxy)silane.

Molecular Properties

Compound Namedecoxy-diethyl-(naphthalen-2-ylmethoxy)silane
PubChem CID91717632
Molecular FormulaC25H40O2Si
Molecular Weight400.68 g/mol
Exact Mass400.28
IUPAC Namedecoxy-diethyl-(naphthalen-2-ylmethoxy)silane
SMILESCCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1
InChIInChI=1S/C25H40O2Si/c1-4-7-8-9-10-11-12-15-20-26-28(5-2,6-3)27-22-23-18-19-24-16-13-14-17-25(24)21-23/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3
InChIKeyPSAGEGNHLAPKQS-UHFFFAOYSA-N
XLogP8.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 58.00
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 decoxy-diethyl-(naphthalen-2-ylmethoxy)silane?
The IUPAC name of decoxy-diethyl-(naphthalen-2-ylmethoxy)silane (CID 91717632) is decoxy-diethyl-(naphthalen-2-ylmethoxy)silane.
What is the SMILES notation for decoxy-diethyl-(naphthalen-2-ylmethoxy)silane?
The canonical SMILES for decoxy-diethyl-(naphthalen-2-ylmethoxy)silane is CCCCCCCCCCO[Si](CC)(CC)OCc1ccc2ccccc2c1.
What is the InChIKey of decoxy-diethyl-(naphthalen-2-ylmethoxy)silane?
The InChIKey is PSAGEGNHLAPKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O2Si/c1-4-7-8-9-10-11-12-15-20-26-28(5-2,6-3)27-22-23-18-19-24-16-13-14-17-25(24)21-23/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3.
What are the key properties of decoxy-diethyl-(naphthalen-2-ylmethoxy)silane?
decoxy-diethyl-(naphthalen-2-ylmethoxy)silane has a molecular weight of 400.68 g/mol, XLogP of 8.00, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-diethyl-(naphthalen-2-ylmethoxy)silane is sourced from PubChem (CID 91717632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).