methyl 2-methyl-3-tribenzoylgermylpropanoate

C26H24GeO5 — CID 158975550

IUPACmethyl 2-methyl-3-tribenzoylgermylpropanoate
SMILESCOC(=O)C(C)C[Ge](C(=O)c1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C26H24GeO5/c1-19(26(31)32-2)18-27(23(28)20-12-6-3-7-13-20,24(29)21-14-8-4-9-15-21)25(30)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3
InChIKeyJOIRESSLDGIHOZ-UHFFFAOYSA-N
MW489.08 g/mol
LogP4.51
Rot. Bonds9

About methyl 2-methyl-3-tribenzoylgermylpropanoate

methyl 2-methyl-3-tribenzoylgermylpropanoate (PubChem CID 158975550) has the molecular formula C26H24GeO5 and a molecular weight of 489.08 g/mol. Its IUPAC name is methyl 2-methyl-3-tribenzoylgermylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-tribenzoylgermylpropanoate
PubChem CID158975550
Molecular FormulaC26H24GeO5
Molecular Weight489.08 g/mol
Exact Mass490.08
IUPAC Namemethyl 2-methyl-3-tribenzoylgermylpropanoate
SMILESCOC(=O)C(C)C[Ge](C(=O)c1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C26H24GeO5/c1-19(26(31)32-2)18-27(23(28)20-12-6-3-7-13-20,24(29)21-14-8-4-9-15-21)25(30)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3
InChIKeyJOIRESSLDGIHOZ-UHFFFAOYSA-N
XLogP4.51
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.08
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
CID 99867988
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(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
methyl 2-hydrazinyl-4-oxo-4-phenylbutanoate
CID 174431465
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702
methyl 2-anilinopropanoate
CID 3417283

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-tribenzoylgermylpropanoate?
The IUPAC name of methyl 2-methyl-3-tribenzoylgermylpropanoate (CID 158975550) is methyl 2-methyl-3-tribenzoylgermylpropanoate.
What is the SMILES notation for methyl 2-methyl-3-tribenzoylgermylpropanoate?
The canonical SMILES for methyl 2-methyl-3-tribenzoylgermylpropanoate is COC(=O)C(C)C[Ge](C(=O)c1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of methyl 2-methyl-3-tribenzoylgermylpropanoate?
The InChIKey is JOIRESSLDGIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24GeO5/c1-19(26(31)32-2)18-27(23(28)20-12-6-3-7-13-20,24(29)21-14-8-4-9-15-21)25(30)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3.
What are the key properties of methyl 2-methyl-3-tribenzoylgermylpropanoate?
methyl 2-methyl-3-tribenzoylgermylpropanoate has a molecular weight of 489.08 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-tribenzoylgermylpropanoate is sourced from PubChem (CID 158975550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).