2-bromooxaluminane

C4H8AlBrO — CID 87257383

IUPAC2-bromooxaluminane
SMILESBr[Al]1CCCCO1
InChIInChI=1S/C4H8O.Al.BrH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1
InChIKeyCXBFKISYVMCRHF-UHFFFAOYSA-M
MW178.99 g/mol
LogP1.68
Rot. Bonds

About 2-bromooxaluminane

2-bromooxaluminane (PubChem CID 87257383) has the molecular formula C4H8AlBrO and a molecular weight of 178.99 g/mol. Its IUPAC name is 2-bromooxaluminane.

Molecular Properties

Compound Name2-bromooxaluminane
PubChem CID87257383
Molecular FormulaC4H8AlBrO
Molecular Weight178.99 g/mol
Exact Mass177.96
IUPAC Name2-bromooxaluminane
SMILESBr[Al]1CCCCO1
InChIInChI=1S/C4H8O.Al.BrH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1
InChIKeyCXBFKISYVMCRHF-UHFFFAOYSA-M
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.99
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylaluminoxane
CID 23260925
Methylalumoxane
CID 23511181
CID 59076056
CID 59076056
Ethoxyalumoxane
CID 129760813
2-Fluorooxaluminane
CID 87257411
2-(Fluoromethyl)oxaluminane
CID 87808943
Oxaluminan-2-amine
CID 87064919
2-Propan-2-yloxaluminane
CID 87071972
CID 87078371
CID 87078371
2-Propyloxaluminane
CID 87110729
2-Chlorooxaluminane
CID 87112421
2-(Bromomethyl)oxaluminane
CID 87810296

Frequently Asked Questions

What is the IUPAC name of 2-bromooxaluminane?
The IUPAC name of 2-bromooxaluminane (CID 87257383) is 2-bromooxaluminane.
What is the SMILES notation for 2-bromooxaluminane?
The canonical SMILES for 2-bromooxaluminane is Br[Al]1CCCCO1.
What is the InChIKey of 2-bromooxaluminane?
The InChIKey is CXBFKISYVMCRHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.Al.BrH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1.
What are the key properties of 2-bromooxaluminane?
2-bromooxaluminane has a molecular weight of 178.99 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromooxaluminane is sourced from PubChem (CID 87257383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).