3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione

C8H7AlO8 — CID 149321706

IUPAC3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione
SMILESO=C1CC(O[AlH]OC2CC(=O)OC2=O)C(=O)O1
InChIInChI=1S/2C4H3O4.Al.H/c2*5-2-1-3(6)8-4(2)7;;/h2*2H,1H2;;/q2*-1;+2;
InChIKeyYAPCAVNZBNQFTM-UHFFFAOYSA-N
MW258.12 g/mol
LogP-2.03
Rot. Bonds4

About 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione

3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione (PubChem CID 149321706) has the molecular formula C8H7AlO8 and a molecular weight of 258.12 g/mol. Its IUPAC name is 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione
PubChem CID149321706
Molecular FormulaC8H7AlO8
Molecular Weight258.12 g/mol
Exact Mass258.00
IUPAC Name3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione
SMILESO=C1CC(O[AlH]OC2CC(=O)OC2=O)C(=O)O1
InChIInChI=1S/2C4H3O4.Al.H/c2*5-2-1-3(6)8-4(2)7;;/h2*2H,1H2;;/q2*-1;+2;
InChIKeyYAPCAVNZBNQFTM-UHFFFAOYSA-N
XLogP-2.03
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione
CID 59141604
(3R)-3-hydroxyoxolane-2,5-dione
CID 118327209
(3S)-3-aminooxolane-2,5-dione;zinc
CID 174884876
3-[[(3S)-2,5-dioxooxolan-3-yl]methyl]oxolane-2,5-dione
CID 148818763
3-(1-phenylprop-2-enoxy)oxolane-2,5-dione;styrene
CID 88797547
3-(3-phenyliodanuidylphenoxy)oxolane-2,5-dione
CID 59503171
3-tert-butyloxolane-2,5-dione
CID 10820811
3-[7-(2,5-dioxooxolan-3-yl)heptyl]oxolane-2,5-dione
CID 59893092
(2,6-dioxooxan-3-yl) prop-2-enoate
CID 150861721
3-(2-methoxyethyl)oxolane-2,5-dione
CID 13255588
3-(2,5-dioxooxolan-3-yl)oxybutyl prop-2-enoate
CID 134242126
acetyl 2,5-dioxooxolane-3-carboxylate
CID 130182023

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione?
The IUPAC name of 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione (CID 149321706) is 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione.
What is the SMILES notation for 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione?
The canonical SMILES for 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione is O=C1CC(O[AlH]OC2CC(=O)OC2=O)C(=O)O1.
What is the InChIKey of 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione?
The InChIKey is YAPCAVNZBNQFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3O4.Al.H/c2*5-2-1-3(6)8-4(2)7;;/h2*2H,1H2;;/q2*-1;+2;.
What are the key properties of 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione?
3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione has a molecular weight of 258.12 g/mol, XLogP of -2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione is sourced from PubChem (CID 149321706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).