4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one

C9H14Cl2GeO2 — CID 12539427

IUPAC4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one
SMILESCCOC1=C([Ge](C)(C)C)C(=O)C1(Cl)Cl
InChIInChI=1S/C9H14Cl2GeO2/c1-5-14-8-6(12(2,3)4)7(13)9(8,10)11/h5H2,1-4H3
InChIKeyXMRVRCGQKCCPGT-UHFFFAOYSA-N
MW297.73 g/mol
LogP2.91
Rot. Bonds3

About 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one

4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one (PubChem CID 12539427) has the molecular formula C9H14Cl2GeO2 and a molecular weight of 297.73 g/mol. Its IUPAC name is 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one
PubChem CID12539427
Molecular FormulaC9H14Cl2GeO2
Molecular Weight297.73 g/mol
Exact Mass297.96
IUPAC Name4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one
SMILESCCOC1=C([Ge](C)(C)C)C(=O)C1(Cl)Cl
InChIInChI=1S/C9H14Cl2GeO2/c1-5-14-8-6(12(2,3)4)7(13)9(8,10)11/h5H2,1-4H3
InChIKeyXMRVRCGQKCCPGT-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one?
The IUPAC name of 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one (CID 12539427) is 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one.
What is the SMILES notation for 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one?
The canonical SMILES for 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one is CCOC1=C([Ge](C)(C)C)C(=O)C1(Cl)Cl.
What is the InChIKey of 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one?
The InChIKey is XMRVRCGQKCCPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2GeO2/c1-5-14-8-6(12(2,3)4)7(13)9(8,10)11/h5H2,1-4H3.
What are the key properties of 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one?
4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one has a molecular weight of 297.73 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one is sourced from PubChem (CID 12539427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).