methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate

C12H22Ge2O5 — CID 134979096

IUPACmethyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate
SMILESCOC(=O)/C=C/[Ge](C)(C)O[Ge](C)(C)/C=C/C(=O)OC
InChIInChI=1S/C12H22Ge2O5/c1-13(2,9-7-11(15)17-5)19-14(3,4)10-8-12(16)18-6/h7-10H,1-6H3/b9-7+,10-8+
InChIKeyVZKOKIGTKCVWTL-FIFLTTCUSA-N
MW391.52 g/mol
LogP1.95
Rot. Bonds6

About methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate

methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate (PubChem CID 134979096) has the molecular formula C12H22Ge2O5 and a molecular weight of 391.52 g/mol. Its IUPAC name is methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate
PubChem CID134979096
Molecular FormulaC12H22Ge2O5
Molecular Weight391.52 g/mol
Exact Mass393.99
IUPAC Namemethyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate
SMILESCOC(=O)/C=C/[Ge](C)(C)O[Ge](C)(C)/C=C/C(=O)OC
InChIInChI=1S/C12H22Ge2O5/c1-13(2,9-7-11(15)17-5)19-14(3,4)10-8-12(16)18-6/h7-10H,1-6H3/b9-7+,10-8+
InChIKeyVZKOKIGTKCVWTL-FIFLTTCUSA-N
XLogP1.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate (CID 134979096) is methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate is COC(=O)/C=C/[Ge](C)(C)O[Ge](C)(C)/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate?
The InChIKey is VZKOKIGTKCVWTL-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H22Ge2O5/c1-13(2,9-7-11(15)17-5)19-14(3,4)10-8-12(16)18-6/h7-10H,1-6H3/b9-7+,10-8+.
What are the key properties of methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate?
methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate has a molecular weight of 391.52 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[[[(E)-3-methoxy-3-oxoprop-1-enyl]-dimethylgermyl]oxy-dimethylgermyl]prop-2-enoate is sourced from PubChem (CID 134979096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).