1-bromo-5,7-dimethylundecane

C13H27Br — CID 72965609

IUPAC1-bromo-5,7-dimethylundecane
SMILESCCCCC(C)CC(C)CCCCBr
InChIInChI=1S/C13H27Br/c1-4-5-8-12(2)11-13(3)9-6-7-10-14/h12-13H,4-11H2,1-3H3
InChIKeyAJQYHVRTIWDMQG-UHFFFAOYSA-N
MW263.26 g/mol
LogP5.40
Rot. Bonds9

About 1-bromo-5,7-dimethylundecane

1-bromo-5,7-dimethylundecane (PubChem CID 72965609) has the molecular formula C13H27Br and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-bromo-5,7-dimethylundecane.

Molecular Properties

Compound Name1-bromo-5,7-dimethylundecane
PubChem CID72965609
Molecular FormulaC13H27Br
Molecular Weight263.26 g/mol
Exact Mass262.13
IUPAC Name1-bromo-5,7-dimethylundecane
SMILESCCCCC(C)CC(C)CCCCBr
InChIInChI=1S/C13H27Br/c1-4-5-8-12(2)11-13(3)9-6-7-10-14/h12-13H,4-11H2,1-3H3
InChIKeyAJQYHVRTIWDMQG-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.26
LogP ≤ 55.40
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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CID 91185725
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
1-bromo-4-methyldecane
CID 14069922
4,11,14,16-tetramethylicosane
CID 123438722
2-bromo-4-methylundecane
CID 64721914
(4R,6S)-4,6-dimethyldodecane
CID 162976966
1-bromo-10-methyldodecane
CID 15569726
15,19,21-trimethylheptatriacontane
CID 20837834
2,24,26-trimethyldotetracontane
CID 91249721

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,7-dimethylundecane?
The IUPAC name of 1-bromo-5,7-dimethylundecane (CID 72965609) is 1-bromo-5,7-dimethylundecane.
What is the SMILES notation for 1-bromo-5,7-dimethylundecane?
The canonical SMILES for 1-bromo-5,7-dimethylundecane is CCCCC(C)CC(C)CCCCBr.
What is the InChIKey of 1-bromo-5,7-dimethylundecane?
The InChIKey is AJQYHVRTIWDMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br/c1-4-5-8-12(2)11-13(3)9-6-7-10-14/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-bromo-5,7-dimethylundecane?
1-bromo-5,7-dimethylundecane has a molecular weight of 263.26 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,7-dimethylundecane is sourced from PubChem (CID 72965609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).