CID 87924924

C6H14AlO4 — CID 87924924

IUPAC—
SMILESCOC(C)O[Al]OC(C)OC
InChIInChI=1S/2C3H7O2.Al/c2*1-3(4)5-2;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyZGDCIDASAMRKQY-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.54
Rot. Bonds6

About CID 87924924

CID 87924924 (PubChem CID 87924924) has the molecular formula C6H14AlO4 and a molecular weight of 177.16 g/mol.

Molecular Properties

Compound NameCID 87924924
PubChem CID87924924
Molecular FormulaC6H14AlO4
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Name—
SMILESCOC(C)O[Al]OC(C)OC
InChIInChI=1S/2C3H7O2.Al/c2*1-3(4)5-2;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyZGDCIDASAMRKQY-UHFFFAOYSA-N
XLogP0.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87924924?
The IUPAC name of CID 87924924 (CID 87924924) is not available.
What is the SMILES notation for CID 87924924?
The canonical SMILES for CID 87924924 is COC(C)O[Al]OC(C)OC.
What is the InChIKey of CID 87924924?
The InChIKey is ZGDCIDASAMRKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Al/c2*1-3(4)5-2;/h2*3H,1-2H3;/q2*-1;+2.
What are the key properties of CID 87924924?
CID 87924924 has a molecular weight of 177.16 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87924924 is sourced from PubChem (CID 87924924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).