1-bromo-4-methyldecane

C11H23Br — CID 14069922

IUPAC1-bromo-4-methyldecane
SMILESCCCCCCC(C)CCCBr
InChIInChI=1S/C11H23Br/c1-3-4-5-6-8-11(2)9-7-10-12/h11H,3-10H2,1-2H3
InChIKeyWNVAFKRYLLQLPY-UHFFFAOYSA-N
MW235.21 g/mol
LogP4.77
Rot. Bonds8

About 1-bromo-4-methyldecane

1-bromo-4-methyldecane (PubChem CID 14069922) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-bromo-4-methyldecane.

Molecular Properties

Compound Name1-bromo-4-methyldecane
PubChem CID14069922
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name1-bromo-4-methyldecane
SMILESCCCCCCC(C)CCCBr
InChIInChI=1S/C11H23Br/c1-3-4-5-6-8-11(2)9-7-10-12/h11H,3-10H2,1-2H3
InChIKeyWNVAFKRYLLQLPY-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.77
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'}

Analyze 1-bromo-4-methyldecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-10-methyltetradecane
CID 170440357
(3R)-1-bromo-3-methyltridecane
CID 154310087
11-methylhentriacontane
CID 520767
(9R)-9-methylhenicosane
CID 170848396
6-methyltetradecane
CID 529900
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methyldecane?
The IUPAC name of 1-bromo-4-methyldecane (CID 14069922) is 1-bromo-4-methyldecane.
What is the SMILES notation for 1-bromo-4-methyldecane?
The canonical SMILES for 1-bromo-4-methyldecane is CCCCCCC(C)CCCBr.
What is the InChIKey of 1-bromo-4-methyldecane?
The InChIKey is WNVAFKRYLLQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Br/c1-3-4-5-6-8-11(2)9-7-10-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-bromo-4-methyldecane?
1-bromo-4-methyldecane has a molecular weight of 235.21 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methyldecane is sourced from PubChem (CID 14069922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).