(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one

C15H21GaO6 — CID 16717626

IUPAC(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one
SMILESCC(=O)/C=C(/C)O[Ga](O/C(C)=C\C(C)=O)O/C(C)=C\C(C)=O
InChIInChI=1S/3C5H8O2.Ga/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKeyZVYYAYJIGYODSD-LNTINUHCSA-K
MW367.05 g/mol
LogP2.50
Rot. Bonds9

About (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one

(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one (PubChem CID 16717626) has the molecular formula C15H21GaO6 and a molecular weight of 367.05 g/mol. Its IUPAC name is (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one
PubChem CID16717626
Molecular FormulaC15H21GaO6
Molecular Weight367.05 g/mol
Exact Mass366.06
IUPAC Name(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one
SMILESCC(=O)/C=C(/C)O[Ga](O/C(C)=C\C(C)=O)O/C(C)=C\C(C)=O
InChIInChI=1S/3C5H8O2.Ga/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKeyZVYYAYJIGYODSD-LNTINUHCSA-K
XLogP2.50
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.05
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Launch Full Analysis

Related Compounds

[(Z)-4-oxopent-2-en-2-yl] hypoiodite
CID 89073208
CID 140513856
CID 140513856
(E)-5-methoxy-4,6-dimethylhept-3-en-2-one
CID 87291199
(Z)-4-dichloroalumanyloxypent-3-en-2-one
CID 16685728
(E)-4-[dichloro-[(E)-4-oxopent-2-en-2-yl]oxygermyl]oxypent-3-en-2-one
CID 16685730
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
ethyl [(Z)-4-oxopent-2-en-2-yl] carbonate
CID 88770725
(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one
CID 166460707

Frequently Asked Questions

What is the IUPAC name of (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one?
The IUPAC name of (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one (CID 16717626) is (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one.
What is the SMILES notation for (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one?
The canonical SMILES for (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one is CC(=O)/C=C(/C)O[Ga](O/C(C)=C\C(C)=O)O/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one?
The InChIKey is ZVYYAYJIGYODSD-LNTINUHCSA-K. The full InChI is InChI=1S/3C5H8O2.Ga/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;.
What are the key properties of (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one?
(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one has a molecular weight of 367.05 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one is sourced from PubChem (CID 16717626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).