triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane

C22H27NSi — CID 134843616

IUPACtriethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane
SMILESCC[Si](CC)(CC)c1ccc2ccccc2c1-c1cc(C)ccn1
InChIInChI=1S/C22H27NSi/c1-5-24(6-2,7-3)21-13-12-18-10-8-9-11-19(18)22(21)20-16-17(4)14-15-23-20/h8-16H,5-7H2,1-4H3
InChIKeyVDLHYNOTJXBKQY-UHFFFAOYSA-N
MW333.55 g/mol
LogP5.93
Rot. Bonds5

About triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane

triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane (PubChem CID 134843616) has the molecular formula C22H27NSi and a molecular weight of 333.55 g/mol. Its IUPAC name is triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane.

Molecular Properties

Compound Nametriethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane
PubChem CID134843616
Molecular FormulaC22H27NSi
Molecular Weight333.55 g/mol
Exact Mass333.19
IUPAC Nametriethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane
SMILESCC[Si](CC)(CC)c1ccc2ccccc2c1-c1cc(C)ccn1
InChIInChI=1S/C22H27NSi/c1-5-24(6-2,7-3)21-13-12-18-10-8-9-11-19(18)22(21)20-16-17(4)14-15-23-20/h8-16H,5-7H2,1-4H3
InChIKeyVDLHYNOTJXBKQY-UHFFFAOYSA-N
XLogP5.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane?
The IUPAC name of triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane (CID 134843616) is triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane.
What is the SMILES notation for triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane?
The canonical SMILES for triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane is CC[Si](CC)(CC)c1ccc2ccccc2c1-c1cc(C)ccn1.
What is the InChIKey of triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane?
The InChIKey is VDLHYNOTJXBKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NSi/c1-5-24(6-2,7-3)21-13-12-18-10-8-9-11-19(18)22(21)20-16-17(4)14-15-23-20/h8-16H,5-7H2,1-4H3.
What are the key properties of triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane?
triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane has a molecular weight of 333.55 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane is sourced from PubChem (CID 134843616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).