4-bromo-2,9-dimethyldecane

C12H25Br — CID 83161521

IUPAC4-bromo-2,9-dimethyldecane
SMILESCC(C)CCCCC(Br)CC(C)C
InChIInChI=1S/C12H25Br/c1-10(2)7-5-6-8-12(13)9-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyQBORPOZEUKHCCE-UHFFFAOYSA-N
MW249.24 g/mol
LogP5.01
Rot. Bonds7

About 4-bromo-2,9-dimethyldecane

4-bromo-2,9-dimethyldecane (PubChem CID 83161521) has the molecular formula C12H25Br and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-bromo-2,9-dimethyldecane.

Molecular Properties

Compound Name4-bromo-2,9-dimethyldecane
PubChem CID83161521
Molecular FormulaC12H25Br
Molecular Weight249.24 g/mol
Exact Mass248.11
IUPAC Name4-bromo-2,9-dimethyldecane
SMILESCC(C)CCCCC(Br)CC(C)C
InChIInChI=1S/C12H25Br/c1-10(2)7-5-6-8-12(13)9-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyQBORPOZEUKHCCE-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.24
LogP ≤ 55.01
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

4-bromo-2-methyloctane;hydrobromide
CID 175067388
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
2-bromo-8-methylnonane
CID 83169222
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
2,4-dibromooctane
CID 150795215
1,1,3-tribromooctane
CID 10861079
2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601
2,4,10,15,19,23-hexamethyltetracosane
CID 71327414
1-bromo-11-methyldodecane
CID 15569727
cobalt;2-methylheptane
CID 170567086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,9-dimethyldecane?
The IUPAC name of 4-bromo-2,9-dimethyldecane (CID 83161521) is 4-bromo-2,9-dimethyldecane.
What is the SMILES notation for 4-bromo-2,9-dimethyldecane?
The canonical SMILES for 4-bromo-2,9-dimethyldecane is CC(C)CCCCC(Br)CC(C)C.
What is the InChIKey of 4-bromo-2,9-dimethyldecane?
The InChIKey is QBORPOZEUKHCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Br/c1-10(2)7-5-6-8-12(13)9-11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-bromo-2,9-dimethyldecane?
4-bromo-2,9-dimethyldecane has a molecular weight of 249.24 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,9-dimethyldecane is sourced from PubChem (CID 83161521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).