2-bromo-6-ethyl-4,4-dimethyldecane

C14H29Br — CID 64717913

IUPAC2-bromo-6-ethyl-4,4-dimethyldecane
SMILESCCCCC(CC)CC(C)(C)CC(C)Br
InChIInChI=1S/C14H29Br/c1-6-8-9-13(7-2)11-14(4,5)10-12(3)15/h12-13H,6-11H2,1-5H3
InChIKeyBDFYHSJYQNUXRM-UHFFFAOYSA-N
MW277.29 g/mol
LogP5.79
Rot. Bonds8

About 2-bromo-6-ethyl-4,4-dimethyldecane

2-bromo-6-ethyl-4,4-dimethyldecane (PubChem CID 64717913) has the molecular formula C14H29Br and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-bromo-6-ethyl-4,4-dimethyldecane.

Molecular Properties

Compound Name2-bromo-6-ethyl-4,4-dimethyldecane
PubChem CID64717913
Molecular FormulaC14H29Br
Molecular Weight277.29 g/mol
Exact Mass276.15
IUPAC Name2-bromo-6-ethyl-4,4-dimethyldecane
SMILESCCCCC(CC)CC(C)(C)CC(C)Br
InChIInChI=1S/C14H29Br/c1-6-8-9-13(7-2)11-14(4,5)10-12(3)15/h12-13H,6-11H2,1-5H3
InChIKeyBDFYHSJYQNUXRM-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.29
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 66060389
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6-ethyl-3,4-dimethyl-4-propyldecane
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4-ethyl-2,2-dimethylundecane
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CID 83148291
3,5-diethylnonan-3-amine
CID 63408454
3-bromo-7-ethyl-2-methylundecane
CID 64508771
5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol
CID 140650153
2-(2-ethylhexyl)-2-methylpropanedioyl dichloride
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CID 137419140

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethyl-4,4-dimethyldecane?
The IUPAC name of 2-bromo-6-ethyl-4,4-dimethyldecane (CID 64717913) is 2-bromo-6-ethyl-4,4-dimethyldecane.
What is the SMILES notation for 2-bromo-6-ethyl-4,4-dimethyldecane?
The canonical SMILES for 2-bromo-6-ethyl-4,4-dimethyldecane is CCCCC(CC)CC(C)(C)CC(C)Br.
What is the InChIKey of 2-bromo-6-ethyl-4,4-dimethyldecane?
The InChIKey is BDFYHSJYQNUXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Br/c1-6-8-9-13(7-2)11-14(4,5)10-12(3)15/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-bromo-6-ethyl-4,4-dimethyldecane?
2-bromo-6-ethyl-4,4-dimethyldecane has a molecular weight of 277.29 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-4,4-dimethyldecane is sourced from PubChem (CID 64717913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).