aluminum;oxolane;trichloride

C4H8AlCl3O — CID 66782492

IUPACaluminum;oxolane;trichloride
SMILESC1CCOC1.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C4H8O.Al.3ClH/c1-2-4-5-3-1;;;;/h1-4H2;;3*1H/q;+3;;;/p-3
InChIKeyQBBWRNBMWSVXBB-UHFFFAOYSA-K
MW205.45 g/mol
LogP-8.57
Rot. Bonds

About aluminum;oxolane;trichloride

aluminum;oxolane;trichloride (PubChem CID 66782492) has the molecular formula C4H8AlCl3O and a molecular weight of 205.45 g/mol. Its IUPAC name is aluminum;oxolane;trichloride.

Molecular Properties

Compound Namealuminum;oxolane;trichloride
PubChem CID66782492
Molecular FormulaC4H8AlCl3O
Molecular Weight205.45 g/mol
Exact Mass203.95
IUPAC Namealuminum;oxolane;trichloride
SMILESC1CCOC1.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C4H8O.Al.3ClH/c1-2-4-5-3-1;;;;/h1-4H2;;3*1H/q;+3;;;/p-3
InChIKeyQBBWRNBMWSVXBB-UHFFFAOYSA-K
XLogP-8.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.45
LogP ≤ 5-8.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of aluminum;oxolane;trichloride?
The IUPAC name of aluminum;oxolane;trichloride (CID 66782492) is aluminum;oxolane;trichloride.
What is the SMILES notation for aluminum;oxolane;trichloride?
The canonical SMILES for aluminum;oxolane;trichloride is C1CCOC1.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;oxolane;trichloride?
The InChIKey is QBBWRNBMWSVXBB-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H8O.Al.3ClH/c1-2-4-5-3-1;;;;/h1-4H2;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;oxolane;trichloride?
aluminum;oxolane;trichloride has a molecular weight of 205.45 g/mol, XLogP of -8.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;oxolane;trichloride is sourced from PubChem (CID 66782492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).