dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

C15H22GeO5 — CID 12013178

IUPACdimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C([Ge](C)(C)C)C(=O)CC2C1
InChIInChI=1S/C15H22GeO5/c1-16(2,3)12-10-8-15(13(18)20-4,14(19)21-5)7-9(10)6-11(12)17/h9H,6-8H2,1-5H3
InChIKeyVODVQRGOTBAVCT-UHFFFAOYSA-N
MW354.95 g/mol
LogP1.88
Rot. Bonds3

About dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate (PubChem CID 12013178) has the molecular formula C15H22GeO5 and a molecular weight of 354.95 g/mol. Its IUPAC name is dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
PubChem CID12013178
Molecular FormulaC15H22GeO5
Molecular Weight354.95 g/mol
Exact Mass356.07
IUPAC Namedimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C([Ge](C)(C)C)C(=O)CC2C1
InChIInChI=1S/C15H22GeO5/c1-16(2,3)12-10-8-15(13(18)20-4,14(19)21-5)7-9(10)6-11(12)17/h9H,6-8H2,1-5H3
InChIKeyVODVQRGOTBAVCT-UHFFFAOYSA-N
XLogP1.88
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.95
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate?
The IUPAC name of dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate (CID 12013178) is dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=C([Ge](C)(C)C)C(=O)CC2C1.
What is the InChIKey of dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate?
The InChIKey is VODVQRGOTBAVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22GeO5/c1-16(2,3)12-10-8-15(13(18)20-4,14(19)21-5)7-9(10)6-11(12)17/h9H,6-8H2,1-5H3.
What are the key properties of dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate?
dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate has a molecular weight of 354.95 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate is sourced from PubChem (CID 12013178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).