diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate

C26H50GeO4 — CID 100944149

IUPACdiethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Ge](CCCC)(CCCC)C[C@@H]1CC(C(=O)OCC)(C(=O)OCC)[C@H](C)[C@H]1C
InChIInChI=1S/C26H50GeO4/c1-8-13-16-27(17-14-9-2,18-15-10-3)20-23-19-26(22(7)21(23)6,24(28)30-11-4)25(29)31-12-5/h21-23H,8-20H2,1-7H3/t21-,22-,23+/m1/s1
InChIKeyDVGYUQSCDSXHDM-ZLNRFVROSA-N
MW499.29 g/mol
LogP7.24
Rot. Bonds15

About diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate

diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate (PubChem CID 100944149) has the molecular formula C26H50GeO4 and a molecular weight of 499.29 g/mol. Its IUPAC name is diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate
PubChem CID100944149
Molecular FormulaC26H50GeO4
Molecular Weight499.29 g/mol
Exact Mass500.29
IUPAC Namediethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Ge](CCCC)(CCCC)C[C@@H]1CC(C(=O)OCC)(C(=O)OCC)[C@H](C)[C@H]1C
InChIInChI=1S/C26H50GeO4/c1-8-13-16-27(17-14-9-2,18-15-10-3)20-23-19-26(22(7)21(23)6,24(28)30-11-4)25(29)31-12-5/h21-23H,8-20H2,1-7H3/t21-,22-,23+/m1/s1
InChIKeyDVGYUQSCDSXHDM-ZLNRFVROSA-N
XLogP7.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.29
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate (CID 100944149) is diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate is CCCC[Ge](CCCC)(CCCC)C[C@@H]1CC(C(=O)OCC)(C(=O)OCC)[C@H](C)[C@H]1C.
What is the InChIKey of diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is DVGYUQSCDSXHDM-ZLNRFVROSA-N. The full InChI is InChI=1S/C26H50GeO4/c1-8-13-16-27(17-14-9-2,18-15-10-3)20-23-19-26(22(7)21(23)6,24(28)30-11-4)25(29)31-12-5/h21-23H,8-20H2,1-7H3/t21-,22-,23+/m1/s1.
What are the key properties of diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate?
diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 499.29 g/mol, XLogP of 7.24, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3R,4R)-2,3-dimethyl-4-(tributylgermylmethyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 100944149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).