1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole

C13H18Ge — CID 102154983

IUPAC1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole
SMILESCC1=C(C)C[Ge](C)(c2ccccc2)C1
InChIInChI=1S/C13H18Ge/c1-11-9-14(3,10-12(11)2)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyXJQGUNADWFUZLF-UHFFFAOYSA-N
MW246.90 g/mol
LogP3.32
Rot. Bonds1

About 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole

1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole (PubChem CID 102154983) has the molecular formula C13H18Ge and a molecular weight of 246.90 g/mol. Its IUPAC name is 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole.

Molecular Properties

Compound Name1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole
PubChem CID102154983
Molecular FormulaC13H18Ge
Molecular Weight246.90 g/mol
Exact Mass248.06
IUPAC Name1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole
SMILESCC1=C(C)C[Ge](C)(c2ccccc2)C1
InChIInChI=1S/C13H18Ge/c1-11-9-14(3,10-12(11)2)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyXJQGUNADWFUZLF-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.90
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole?
The IUPAC name of 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole (CID 102154983) is 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole.
What is the SMILES notation for 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole?
The canonical SMILES for 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole is CC1=C(C)C[Ge](C)(c2ccccc2)C1.
What is the InChIKey of 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole?
The InChIKey is XJQGUNADWFUZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Ge/c1-11-9-14(3,10-12(11)2)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole?
1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole has a molecular weight of 246.90 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-1-phenyl-2,5-dihydrogermole is sourced from PubChem (CID 102154983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).