(Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one

C16H23AlO5 — CID 140811379

IUPAC(Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one
SMILESCC(=O)/C=C(/C)C[Al](O/C(C)=C\C(C)=O)O/C(C)=C\C(C)=O
InChIInChI=1S/C6H9O.2C5H8O2.Al/c1-5(2)4-6(3)7;2*1-4(6)3-5(2)7;/h4H,1H2,2-3H3;2*3,6H,1-2H3;/q;;;+2/p-2/b5-4+;2*4-3-;
InChIKeyDRCGMSFHPKNVCL-SOGYTFCDSA-L
MW322.34 g/mol
LogP3.03
Rot. Bonds9

About (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one

(Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one (PubChem CID 140811379) has the molecular formula C16H23AlO5 and a molecular weight of 322.34 g/mol. Its IUPAC name is (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one
PubChem CID140811379
Molecular FormulaC16H23AlO5
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name(Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one
SMILESCC(=O)/C=C(/C)C[Al](O/C(C)=C\C(C)=O)O/C(C)=C\C(C)=O
InChIInChI=1S/C6H9O.2C5H8O2.Al/c1-5(2)4-6(3)7;2*1-4(6)3-5(2)7;/h4H,1H2,2-3H3;2*3,6H,1-2H3;/q;;;+2/p-2/b5-4+;2*4-3-;
InChIKeyDRCGMSFHPKNVCL-SOGYTFCDSA-L
XLogP3.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

(Z)-4-dichloroalumanyloxypent-3-en-2-one
CID 16685728
(Z)-4-methylhex-3-en-2-one
CID 12930146
(E)-5-methoxy-4-methylpent-3-en-2-one
CID 24973969
[(Z)-4-oxopent-2-en-2-yl] hypoiodite
CID 89073208
4-prop-2-enoxypent-3-en-2-one
CID 71367685
(Z)-4-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]gallanyloxypent-3-en-2-one
CID 16717626
CID 140513856
CID 140513856
(Z)-4,6,6-trimethylhept-3-en-2-one
CID 12636167
(E)-4,6-dimethylhept-3-en-2-one
CID 12956006
ethyl [(Z)-4-oxopent-2-en-2-yl] carbonate
CID 88770725
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one?
The IUPAC name of (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one (CID 140811379) is (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one.
What is the SMILES notation for (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one?
The canonical SMILES for (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one is CC(=O)/C=C(/C)C[Al](O/C(C)=C\C(C)=O)O/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one?
The InChIKey is DRCGMSFHPKNVCL-SOGYTFCDSA-L. The full InChI is InChI=1S/C6H9O.2C5H8O2.Al/c1-5(2)4-6(3)7;2*1-4(6)3-5(2)7;/h4H,1H2,2-3H3;2*3,6H,1-2H3;/q;;;+2/p-2/b5-4+;2*4-3-;.
What are the key properties of (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one?
(Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one has a molecular weight of 322.34 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one is sourced from PubChem (CID 140811379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).