Anthracen-1-ylmethyl(diethoxy)silane

C₁₉H₂₂O₂Si — CID 154112454

About Anthracen-1-ylmethyl(diethoxy)silane

Anthracen-1-ylmethyl(diethoxy)silane (PubChem CID 154112454) has the molecular formula C₁₉H₂₂O₂Si and a molecular weight of 310.47 g/mol. Its IUPAC name is anthracen-1-ylmethyl(diethoxy)silane.

Molecular Properties

• Compound Name: Anthracen-1-ylmethyl(diethoxy)silane
• PubChem CID: 154112454
• Molecular Formula: C₁₉H₂₂O₂Si
• Molecular Weight: 310.47 g/mol
• Exact Mass: 310.14
• IUPAC Name: anthracen-1-ylmethyl(diethoxy)silane
• SMILES: CCO[SiH](Cc1cccc2cc3ccccc3cc12)OCC
• InChI: InChI=1S/C19H22O2Si/c1-3-20-22(21-4-2)14-18-11-7-10-17-12-15-8-5-6-9-16(15)13-19(17)18/h5-13,22H,3-4,14H2,1-2H3
• InChIKey: ULGULEHMEMWVRG-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.47
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Anthracen-1-ylmethyl(diethoxy)silane?

The IUPAC name of Anthracen-1-ylmethyl(diethoxy)silane (CID 154112454) is anthracen-1-ylmethyl(diethoxy)silane.

What is the SMILES notation for Anthracen-1-ylmethyl(diethoxy)silane?

The canonical SMILES for Anthracen-1-ylmethyl(diethoxy)silane is CCO[SiH](Cc1cccc2cc3ccccc3cc12)OCC.

What is the InChIKey of Anthracen-1-ylmethyl(diethoxy)silane?

The InChIKey is ULGULEHMEMWVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-3-20-22(21-4-2)14-18-11-7-10-17-12-15-8-5-6-9-16(15)13-19(17)18/h5-13,22H,3-4,14H2,1-2H3.

What are the key properties of Anthracen-1-ylmethyl(diethoxy)silane?

Anthracen-1-ylmethyl(diethoxy)silane has a molecular weight of 310.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Anthracen-1-ylmethyl(diethoxy)silane is sourced from PubChem (CID 154112454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154112454 — identifiers, structure, computed properties (public domain)

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