1-bromo-2,2-dimethyldecane

C12H25Br — CID 66048838

IUPAC1-bromo-2,2-dimethyldecane
SMILESCCCCCCCCC(C)(C)CBr
InChIInChI=1S/C12H25Br/c1-4-5-6-7-8-9-10-12(2,3)11-13/h4-11H2,1-3H3
InChIKeyDWDSDULBFWUPJF-UHFFFAOYSA-N
MW249.24 g/mol
LogP5.16
Rot. Bonds8

About 1-bromo-2,2-dimethyldecane

1-bromo-2,2-dimethyldecane (PubChem CID 66048838) has the molecular formula C12H25Br and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-bromo-2,2-dimethyldecane.

Molecular Properties

Compound Name1-bromo-2,2-dimethyldecane
PubChem CID66048838
Molecular FormulaC12H25Br
Molecular Weight249.24 g/mol
Exact Mass248.11
IUPAC Name1-bromo-2,2-dimethyldecane
SMILESCCCCCCCCC(C)(C)CBr
InChIInChI=1S/C12H25Br/c1-4-5-6-7-8-9-10-12(2,3)11-13/h4-11H2,1-3H3
InChIKeyDWDSDULBFWUPJF-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.24
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3,3-dimethylpentadecan-1-amine
CID 81014127
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,2-dimethyldecane?
The IUPAC name of 1-bromo-2,2-dimethyldecane (CID 66048838) is 1-bromo-2,2-dimethyldecane.
What is the SMILES notation for 1-bromo-2,2-dimethyldecane?
The canonical SMILES for 1-bromo-2,2-dimethyldecane is CCCCCCCCC(C)(C)CBr.
What is the InChIKey of 1-bromo-2,2-dimethyldecane?
The InChIKey is DWDSDULBFWUPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Br/c1-4-5-6-7-8-9-10-12(2,3)11-13/h4-11H2,1-3H3.
What are the key properties of 1-bromo-2,2-dimethyldecane?
1-bromo-2,2-dimethyldecane has a molecular weight of 249.24 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,2-dimethyldecane is sourced from PubChem (CID 66048838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).