1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

C14H19GeNO3 — CID 16691593

IUPAC1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESC(=C/[Ge]12OCCN(CCO1)CCO2)\c1ccccc1
InChIInChI=1S/C14H19GeNO3/c1-2-4-14(5-3-1)6-7-15-17-11-8-16(9-12-18-15)10-13-19-15/h1-7H,8-13H2/b7-6+
InChIKeySZRWNCBOUYBWDH-VOTSOKGWSA-N
MW321.92 g/mol
LogP1.56
Rot. Bonds2

About 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (PubChem CID 16691593) has the molecular formula C14H19GeNO3 and a molecular weight of 321.92 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
PubChem CID16691593
Molecular FormulaC14H19GeNO3
Molecular Weight321.92 g/mol
Exact Mass323.06
IUPAC Name1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESC(=C/[Ge]12OCCN(CCO1)CCO2)\c1ccccc1
InChIInChI=1S/C14H19GeNO3/c1-2-4-14(5-3-1)6-7-15-17-11-8-16(9-12-18-15)10-13-19-15/h1-7H,8-13H2/b7-6+
InChIKeySZRWNCBOUYBWDH-VOTSOKGWSA-N
XLogP1.56
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.92
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The IUPAC name of 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (CID 16691593) is 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is C(=C/[Ge]12OCCN(CCO1)CCO2)\c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The InChIKey is SZRWNCBOUYBWDH-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H19GeNO3/c1-2-4-14(5-3-1)6-7-15-17-11-8-16(9-12-18-15)10-13-19-15/h1-7H,8-13H2/b7-6+.
What are the key properties of 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane has a molecular weight of 321.92 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is sourced from PubChem (CID 16691593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).