2-chlorooxaluminane

C4H8AlClO — CID 87112421

IUPAC2-chlorooxaluminane
SMILESCl[Al]1CCCCO1
InChIInChI=1S/C4H8O.Al.ClH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1
InChIKeyIAXDSGXZOODNJL-UHFFFAOYSA-M
MW134.54 g/mol
LogP1.52
Rot. Bonds

About 2-chlorooxaluminane

2-chlorooxaluminane (PubChem CID 87112421) has the molecular formula C4H8AlClO and a molecular weight of 134.54 g/mol. Its IUPAC name is 2-chlorooxaluminane.

Molecular Properties

Compound Name2-chlorooxaluminane
PubChem CID87112421
Molecular FormulaC4H8AlClO
Molecular Weight134.54 g/mol
Exact Mass134.01
IUPAC Name2-chlorooxaluminane
SMILESCl[Al]1CCCCO1
InChIInChI=1S/C4H8O.Al.ClH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1
InChIKeyIAXDSGXZOODNJL-UHFFFAOYSA-M
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.54
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chlorooxaluminane?
The IUPAC name of 2-chlorooxaluminane (CID 87112421) is 2-chlorooxaluminane.
What is the SMILES notation for 2-chlorooxaluminane?
The canonical SMILES for 2-chlorooxaluminane is Cl[Al]1CCCCO1.
What is the InChIKey of 2-chlorooxaluminane?
The InChIKey is IAXDSGXZOODNJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.Al.ClH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1.
What are the key properties of 2-chlorooxaluminane?
2-chlorooxaluminane has a molecular weight of 134.54 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorooxaluminane is sourced from PubChem (CID 87112421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).