trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane

C16H27GeNO3Si — CID 16709956

IUPACtrimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane
SMILESC[Si](C)(C)C(c1ccccc1)[Ge]12OCCN(CCO1)CCO2
InChIInChI=1S/C16H27GeNO3Si/c1-22(2,3)16(15-7-5-4-6-8-15)17-19-12-9-18(10-13-20-17)11-14-21-17/h4-8,16H,9-14H2,1-3H3
InChIKeyUTFLKXKKHNCQQG-UHFFFAOYSA-N
MW382.09 g/mol
LogP2.50
Rot. Bonds3

About trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane

trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane (PubChem CID 16709956) has the molecular formula C16H27GeNO3Si and a molecular weight of 382.09 g/mol. Its IUPAC name is trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane.

Molecular Properties

Compound Nametrimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane
PubChem CID16709956
Molecular FormulaC16H27GeNO3Si
Molecular Weight382.09 g/mol
Exact Mass383.10
IUPAC Nametrimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane
SMILESC[Si](C)(C)C(c1ccccc1)[Ge]12OCCN(CCO1)CCO2
InChIInChI=1S/C16H27GeNO3Si/c1-22(2,3)16(15-7-5-4-6-8-15)17-19-12-9-18(10-13-20-17)11-14-21-17/h4-8,16H,9-14H2,1-3H3
InChIKeyUTFLKXKKHNCQQG-UHFFFAOYSA-N
XLogP2.50
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane?
The IUPAC name of trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane (CID 16709956) is trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane.
What is the SMILES notation for trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane?
The canonical SMILES for trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane is C[Si](C)(C)C(c1ccccc1)[Ge]12OCCN(CCO1)CCO2.
What is the InChIKey of trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane?
The InChIKey is UTFLKXKKHNCQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27GeNO3Si/c1-22(2,3)16(15-7-5-4-6-8-15)17-19-12-9-18(10-13-20-17)11-14-21-17/h4-8,16H,9-14H2,1-3H3.
What are the key properties of trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane?
trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane has a molecular weight of 382.09 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[phenyl(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl]silane is sourced from PubChem (CID 16709956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).