(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one

C10H14Cl2GeO4 — CID 16685730

IUPAC(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one
SMILESCC(=O)/C=C(\C)O[Ge](Cl)(Cl)O/C(C)=C/C(C)=O
InChIInChI=1S/C10H14Cl2GeO4/c1-7(14)5-9(3)16-13(11,12)17-10(4)6-8(2)15/h5-6H,1-4H3/b9-5+,10-6+
InChIKeyKFYNUHWQBNWJOE-NXZHAISVSA-N
MW341.73 g/mol
LogP2.92
Rot. Bonds6

About (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one

(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one (PubChem CID 16685730) has the molecular formula C10H14Cl2GeO4 and a molecular weight of 341.73 g/mol. Its IUPAC name is (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one
PubChem CID16685730
Molecular FormulaC10H14Cl2GeO4
Molecular Weight341.73 g/mol
Exact Mass341.95
IUPAC Name(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one
SMILESCC(=O)/C=C(\C)O[Ge](Cl)(Cl)O/C(C)=C/C(C)=O
InChIInChI=1S/C10H14Cl2GeO4/c1-7(14)5-9(3)16-13(11,12)17-10(4)6-8(2)15/h5-6H,1-4H3/b9-5+,10-6+
InChIKeyKFYNUHWQBNWJOE-NXZHAISVSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-4-oxopent-2-en-2-yl] hypoiodite
CID 89073208
(Z)-4-dichloroalumanyloxypent-3-en-2-one
CID 16685728
(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one
CID 16717626
CID 140513856
CID 140513856
methyl [(E)-4-oxopent-2-en-2-yl] carbonate
CID 10351945
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
4-oxopent-2-en-2-yl N,N-dimethylcarbamate
CID 57243563
(Z)-4-[fluoro(methyl)amino]oxypent-3-en-2-one
CID 143934167
4-prop-2-enoxypent-3-en-2-one
CID 71367685
(E)-5-methoxy-4,6-dimethylhept-3-en-2-one
CID 87291199
ethyl [(Z)-4-oxopent-2-en-2-yl] carbonate
CID 88770725
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193

Frequently Asked Questions

What is the IUPAC name of (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one?
The IUPAC name of (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one (CID 16685730) is (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one.
What is the SMILES notation for (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one?
The canonical SMILES for (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one is CC(=O)/C=C(\C)O[Ge](Cl)(Cl)O/C(C)=C/C(C)=O.
What is the InChIKey of (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one?
The InChIKey is KFYNUHWQBNWJOE-NXZHAISVSA-N. The full InChI is InChI=1S/C10H14Cl2GeO4/c1-7(14)5-9(3)16-13(11,12)17-10(4)6-8(2)15/h5-6H,1-4H3/b9-5+,10-6+.
What are the key properties of (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one?
(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one has a molecular weight of 341.73 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one is sourced from PubChem (CID 16685730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).