CID 173106784

C12H23AlBr — CID 173106784

IUPAC—
SMILESBr.C1CCC([Al]C2CCCCC2)CC1
InChIInChI=1S/2C6H11.Al.BrH/c2*1-2-4-6-5-3-1;;/h2*1H,2-6H2;;1H
InChIKeyAHLNPRPSQWRSTL-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.77
Rot. Bonds2

About CID 173106784

CID 173106784 (PubChem CID 173106784) has the molecular formula C12H23AlBr and a molecular weight of 274.20 g/mol.

Molecular Properties

Compound NameCID 173106784
PubChem CID173106784
Molecular FormulaC12H23AlBr
Molecular Weight274.20 g/mol
Exact Mass273.08
IUPAC Name—
SMILESBr.C1CCC([Al]C2CCCCC2)CC1
InChIInChI=1S/2C6H11.Al.BrH/c2*1-2-4-6-5-3-1;;/h2*1H,2-6H2;;1H
InChIKeyAHLNPRPSQWRSTL-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173106784?
The IUPAC name of CID 173106784 (CID 173106784) is not available.
What is the SMILES notation for CID 173106784?
The canonical SMILES for CID 173106784 is Br.C1CCC([Al]C2CCCCC2)CC1.
What is the InChIKey of CID 173106784?
The InChIKey is AHLNPRPSQWRSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11.Al.BrH/c2*1-2-4-6-5-3-1;;/h2*1H,2-6H2;;1H.
What are the key properties of CID 173106784?
CID 173106784 has a molecular weight of 274.20 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173106784 is sourced from PubChem (CID 173106784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).