anthracen-1-yl(triethoxy)silane

C20H24O3Si — CID 87178396

IUPACanthracen-1-yl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C20H24O3Si/c1-4-21-24(22-5-2,23-6-3)20-13-9-12-18-14-16-10-7-8-11-17(16)15-19(18)20/h7-15H,4-6H2,1-3H3
InChIKeyVOYNKJQWCUSKFF-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.25
Rot. Bonds7

About anthracen-1-yl(triethoxy)silane

anthracen-1-yl(triethoxy)silane (PubChem CID 87178396) has the molecular formula C20H24O3Si and a molecular weight of 340.50 g/mol. Its IUPAC name is anthracen-1-yl(triethoxy)silane.

Molecular Properties

Compound Nameanthracen-1-yl(triethoxy)silane
PubChem CID87178396
Molecular FormulaC20H24O3Si
Molecular Weight340.50 g/mol
Exact Mass340.15
IUPAC Nameanthracen-1-yl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C20H24O3Si/c1-4-21-24(22-5-2,23-6-3)20-13-9-12-18-14-16-10-7-8-11-17(16)15-19(18)20/h7-15H,4-6H2,1-3H3
InChIKeyVOYNKJQWCUSKFF-UHFFFAOYSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracen-1-yl(triethoxy)silane?
The IUPAC name of anthracen-1-yl(triethoxy)silane (CID 87178396) is anthracen-1-yl(triethoxy)silane.
What is the SMILES notation for anthracen-1-yl(triethoxy)silane?
The canonical SMILES for anthracen-1-yl(triethoxy)silane is CCO[Si](OCC)(OCC)c1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-yl(triethoxy)silane?
The InChIKey is VOYNKJQWCUSKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3Si/c1-4-21-24(22-5-2,23-6-3)20-13-9-12-18-14-16-10-7-8-11-17(16)15-19(18)20/h7-15H,4-6H2,1-3H3.
What are the key properties of anthracen-1-yl(triethoxy)silane?
anthracen-1-yl(triethoxy)silane has a molecular weight of 340.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-yl(triethoxy)silane is sourced from PubChem (CID 87178396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).