2,4-dibromoadamantane

C10H14Br2 — CID 13131358

IUPAC2,4-dibromoadamantane
SMILESBrC1C2CC3CC(C2)C(Br)C1C3
InChIInChI=1S/C10H14Br2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4H2
InChIKeyJMUHFZKGEKKJLY-UHFFFAOYSA-N
MW294.03 g/mol
LogP3.58
Rot. Bonds

About 2,4-dibromoadamantane

2,4-dibromoadamantane (PubChem CID 13131358) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is 2,4-dibromoadamantane.

Molecular Properties

Compound Name2,4-dibromoadamantane
PubChem CID13131358
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name2,4-dibromoadamantane
SMILESBrC1C2CC3CC(C2)C(Br)C1C3
InChIInChI=1S/C10H14Br2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4H2
InChIKeyJMUHFZKGEKKJLY-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromoadamantane?
The IUPAC name of 2,4-dibromoadamantane (CID 13131358) is 2,4-dibromoadamantane.
What is the SMILES notation for 2,4-dibromoadamantane?
The canonical SMILES for 2,4-dibromoadamantane is BrC1C2CC3CC(C2)C(Br)C1C3.
What is the InChIKey of 2,4-dibromoadamantane?
The InChIKey is JMUHFZKGEKKJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4H2.
What are the key properties of 2,4-dibromoadamantane?
2,4-dibromoadamantane has a molecular weight of 294.03 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromoadamantane is sourced from PubChem (CID 13131358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).