aluminum;bis(prop-2-enoate);chloride

C6H6AlClO4 — CID 175698276

IUPACaluminum;bis(prop-2-enoate);chloride
SMILESC=CC(=O)[O-].C=CC(=O)[O-].[Al+3].[Cl-]
InChIInChI=1S/2C3H4O2.Al.ClH/c2*1-2-3(4)5;;/h2*2H,1H2,(H,4,5);;1H/q;;+3;/p-3
InChIKeyQFMHMVDTABZMFG-UHFFFAOYSA-K
MW204.54 g/mol
LogP-5.53
Rot. Bonds2

About aluminum;bis(prop-2-enoate);chloride

aluminum;bis(prop-2-enoate);chloride (PubChem CID 175698276) has the molecular formula C6H6AlClO4 and a molecular weight of 204.54 g/mol. Its IUPAC name is aluminum;bis(prop-2-enoate);chloride.

Molecular Properties

Compound Namealuminum;bis(prop-2-enoate);chloride
PubChem CID175698276
Molecular FormulaC6H6AlClO4
Molecular Weight204.54 g/mol
Exact Mass203.98
IUPAC Namealuminum;bis(prop-2-enoate);chloride
SMILESC=CC(=O)[O-].C=CC(=O)[O-].[Al+3].[Cl-]
InChIInChI=1S/2C3H4O2.Al.ClH/c2*1-2-3(4)5;;/h2*2H,1H2,(H,4,5);;1H/q;;+3;/p-3
InChIKeyQFMHMVDTABZMFG-UHFFFAOYSA-K
XLogP-5.53
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.54
LogP ≤ 5-5.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enoate;tin(4+)
CID 22321076
europium(2+);bis(prop-2-enoate)
CID 19816716
cobalt(2+);prop-2-enoate
CID 22476955
barium(2+);lead(2+);tetrakis(prop-2-enoate)
CID 159431498
lithium;cobalt(2+);hydride;bis(prop-2-enoate)
CID 173125641
lithium;prop-2-enoate;prop-2-enoic acid
CID 90256429
prop-2-enoate sulfate
CID 18971000
disodium;bis(prop-2-enamide);bis(prop-2-enoate)
CID 173417744
methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)
CID 158693664
copper;2-azanidylethylazanide;bis(prop-2-enoate)
CID 131844736
CID 18513305
CID 18513305
dizinc;bis(2-methylprop-2-enoate);bis(prop-2-enoate)
CID 157058574

Frequently Asked Questions

What is the IUPAC name of aluminum;bis(prop-2-enoate);chloride?
The IUPAC name of aluminum;bis(prop-2-enoate);chloride (CID 175698276) is aluminum;bis(prop-2-enoate);chloride.
What is the SMILES notation for aluminum;bis(prop-2-enoate);chloride?
The canonical SMILES for aluminum;bis(prop-2-enoate);chloride is C=CC(=O)[O-].C=CC(=O)[O-].[Al+3].[Cl-].
What is the InChIKey of aluminum;bis(prop-2-enoate);chloride?
The InChIKey is QFMHMVDTABZMFG-UHFFFAOYSA-K. The full InChI is InChI=1S/2C3H4O2.Al.ClH/c2*1-2-3(4)5;;/h2*2H,1H2,(H,4,5);;1H/q;;+3;/p-3.
What are the key properties of aluminum;bis(prop-2-enoate);chloride?
aluminum;bis(prop-2-enoate);chloride has a molecular weight of 204.54 g/mol, XLogP of -5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;bis(prop-2-enoate);chloride is sourced from PubChem (CID 175698276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).