diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate

C24H26GeO4 — CID 15026149

IUPACdiethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)[Ge](C)(C)C(C(=O)OCC)=C1c1ccccc1
InChIInChI=1S/C24H26GeO4/c1-5-28-23(26)20-19(17-13-9-7-10-14-17)22(24(27)29-6-2)25(3,4)21(20)18-15-11-8-12-16-18/h7-16H,5-6H2,1-4H3
InChIKeyBMQVGEJTYGLXSA-UHFFFAOYSA-N
MW451.08 g/mol
LogP4.82
Rot. Bonds6

About diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate

diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate (PubChem CID 15026149) has the molecular formula C24H26GeO4 and a molecular weight of 451.08 g/mol. Its IUPAC name is diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate
PubChem CID15026149
Molecular FormulaC24H26GeO4
Molecular Weight451.08 g/mol
Exact Mass452.10
IUPAC Namediethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)[Ge](C)(C)C(C(=O)OCC)=C1c1ccccc1
InChIInChI=1S/C24H26GeO4/c1-5-28-23(26)20-19(17-13-9-7-10-14-17)22(24(27)29-6-2)25(3,4)21(20)18-15-11-8-12-16-18/h7-16H,5-6H2,1-4H3
InChIKeyBMQVGEJTYGLXSA-UHFFFAOYSA-N
XLogP4.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.08
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate?
The IUPAC name of diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate (CID 15026149) is diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate.
What is the SMILES notation for diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate?
The canonical SMILES for diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate is CCOC(=O)C1=C(c2ccccc2)[Ge](C)(C)C(C(=O)OCC)=C1c1ccccc1.
What is the InChIKey of diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate?
The InChIKey is BMQVGEJTYGLXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26GeO4/c1-5-28-23(26)20-19(17-13-9-7-10-14-17)22(24(27)29-6-2)25(3,4)21(20)18-15-11-8-12-16-18/h7-16H,5-6H2,1-4H3.
What are the key properties of diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate?
diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate has a molecular weight of 451.08 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,1-dimethyl-3,5-diphenylgermole-2,4-dicarboxylate is sourced from PubChem (CID 15026149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).