1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

C16H19GeNO3 — CID 23278680

IUPAC1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESc1ccc2cc([Ge]34OCCN(CCO3)CCO4)ccc2c1
InChIInChI=1S/C16H19GeNO3/c1-2-4-15-13-16(6-5-14(15)3-1)17-19-10-7-18(8-11-20-17)9-12-21-17/h1-6,13H,7-12H2
InChIKeySASLLRKHYYXYAU-UHFFFAOYSA-N
MW345.94 g/mol
LogP1.36
Rot. Bonds1

About 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (PubChem CID 23278680) has the molecular formula C16H19GeNO3 and a molecular weight of 345.94 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
PubChem CID23278680
Molecular FormulaC16H19GeNO3
Molecular Weight345.94 g/mol
Exact Mass347.06
IUPAC Name1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESc1ccc2cc([Ge]34OCCN(CCO3)CCO4)ccc2c1
InChIInChI=1S/C16H19GeNO3/c1-2-4-15-13-16(6-5-14(15)3-1)17-19-10-7-18(8-11-20-17)9-12-21-17/h1-6,13H,7-12H2
InChIKeySASLLRKHYYXYAU-UHFFFAOYSA-N
XLogP1.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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naphthalene-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The IUPAC name of 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (CID 23278680) is 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.
What is the SMILES notation for 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The canonical SMILES for 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is c1ccc2cc([Ge]34OCCN(CCO3)CCO4)ccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The InChIKey is SASLLRKHYYXYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19GeNO3/c1-2-4-15-13-16(6-5-14(15)3-1)17-19-10-7-18(8-11-20-17)9-12-21-17/h1-6,13H,7-12H2.
What are the key properties of 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane has a molecular weight of 345.94 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is sourced from PubChem (CID 23278680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).