dibromoalumane;dodecane

C12H27AlBr2 — CID 174323444

IUPACdibromoalumane;dodecane
SMILESBr[AlH]Br.CCCCCCCCCCCC
InChIInChI=1S/C12H26.Al.2BrH.H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;/h3-12H2,1-2H3;;2*1H;/q;+2;;;/p-2
InChIKeyNSHJWGMGWNOUSE-UHFFFAOYSA-L
MW358.14 g/mol
LogP5.97
Rot. Bonds9

About dibromoalumane;dodecane

dibromoalumane;dodecane (PubChem CID 174323444) has the molecular formula C12H27AlBr2 and a molecular weight of 358.14 g/mol. Its IUPAC name is dibromoalumane;dodecane.

Molecular Properties

Compound Namedibromoalumane;dodecane
PubChem CID174323444
Molecular FormulaC12H27AlBr2
Molecular Weight358.14 g/mol
Exact Mass356.03
IUPAC Namedibromoalumane;dodecane
SMILESBr[AlH]Br.CCCCCCCCCCCC
InChIInChI=1S/C12H26.Al.2BrH.H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;/h3-12H2,1-2H3;;2*1H;/q;+2;;;/p-2
InChIKeyNSHJWGMGWNOUSE-UHFFFAOYSA-L
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.14
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibromoalumane;dodecane?
The IUPAC name of dibromoalumane;dodecane (CID 174323444) is dibromoalumane;dodecane.
What is the SMILES notation for dibromoalumane;dodecane?
The canonical SMILES for dibromoalumane;dodecane is Br[AlH]Br.CCCCCCCCCCCC.
What is the InChIKey of dibromoalumane;dodecane?
The InChIKey is NSHJWGMGWNOUSE-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H26.Al.2BrH.H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;/h3-12H2,1-2H3;;2*1H;/q;+2;;;/p-2.
What are the key properties of dibromoalumane;dodecane?
dibromoalumane;dodecane has a molecular weight of 358.14 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromoalumane;dodecane is sourced from PubChem (CID 174323444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).