2-bromo-4-methylundecane

C12H25Br — CID 64721914

IUPAC2-bromo-4-methylundecane
SMILESCCCCCCCC(C)CC(C)Br
InChIInChI=1S/C12H25Br/c1-4-5-6-7-8-9-11(2)10-12(3)13/h11-12H,4-10H2,1-3H3
InChIKeyWIFRIDLCBRLCEK-UHFFFAOYSA-N
MW249.24 g/mol
LogP5.16
Rot. Bonds8

About 2-bromo-4-methylundecane

2-bromo-4-methylundecane (PubChem CID 64721914) has the molecular formula C12H25Br and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-bromo-4-methylundecane.

Molecular Properties

Compound Name2-bromo-4-methylundecane
PubChem CID64721914
Molecular FormulaC12H25Br
Molecular Weight249.24 g/mol
Exact Mass248.11
IUPAC Name2-bromo-4-methylundecane
SMILESCCCCCCCC(C)CC(C)Br
InChIInChI=1S/C12H25Br/c1-4-5-6-7-8-9-11(2)10-12(3)13/h11-12H,4-10H2,1-3H3
InChIKeyWIFRIDLCBRLCEK-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

6,8-dimethylhexadecane
CID 91185725
2,4-dimethyltetradecane
CID 53423723
(4R,6S)-4,6-dimethyldodecane
CID 162976966
(4S)-2,4-dimethylicosane
CID 134952934
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
11-methylhentriacontane
CID 520767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylundecane?
The IUPAC name of 2-bromo-4-methylundecane (CID 64721914) is 2-bromo-4-methylundecane.
What is the SMILES notation for 2-bromo-4-methylundecane?
The canonical SMILES for 2-bromo-4-methylundecane is CCCCCCCC(C)CC(C)Br.
What is the InChIKey of 2-bromo-4-methylundecane?
The InChIKey is WIFRIDLCBRLCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Br/c1-4-5-6-7-8-9-11(2)10-12(3)13/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-bromo-4-methylundecane?
2-bromo-4-methylundecane 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 2-bromo-4-methylundecane is sourced from PubChem (CID 64721914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).