5,6-dibromo-5-butyltetradecane

C18H36Br2 — CID 151305284

IUPAC5,6-dibromo-5-butyltetradecane
SMILESCCCCCCCCC(Br)C(Br)(CCCC)CCCC
InChIInChI=1S/C18H36Br2/c1-4-7-10-11-12-13-14-17(19)18(20,15-8-5-2)16-9-6-3/h17H,4-16H2,1-3H3
InChIKeyODGPORNPVZDXFS-UHFFFAOYSA-N
MW412.29 g/mol
LogP8.01
Rot. Bonds14

About 5,6-dibromo-5-butyltetradecane

5,6-dibromo-5-butyltetradecane (PubChem CID 151305284) has the molecular formula C18H36Br2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 5,6-dibromo-5-butyltetradecane.

Molecular Properties

Compound Name5,6-dibromo-5-butyltetradecane
PubChem CID151305284
Molecular FormulaC18H36Br2
Molecular Weight412.29 g/mol
Exact Mass410.12
IUPAC Name5,6-dibromo-5-butyltetradecane
SMILESCCCCCCCCC(Br)C(Br)(CCCC)CCCC
InChIInChI=1S/C18H36Br2/c1-4-7-10-11-12-13-14-17(19)18(20,15-8-5-2)16-9-6-3/h17H,4-16H2,1-3H3
InChIKeyODGPORNPVZDXFS-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.29
LogP ≤ 58.01
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

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CID 67852937
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1-bromooctan-1-amine
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1-bromohexadecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-5-butyltetradecane?
The IUPAC name of 5,6-dibromo-5-butyltetradecane (CID 151305284) is 5,6-dibromo-5-butyltetradecane.
What is the SMILES notation for 5,6-dibromo-5-butyltetradecane?
The canonical SMILES for 5,6-dibromo-5-butyltetradecane is CCCCCCCCC(Br)C(Br)(CCCC)CCCC.
What is the InChIKey of 5,6-dibromo-5-butyltetradecane?
The InChIKey is ODGPORNPVZDXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36Br2/c1-4-7-10-11-12-13-14-17(19)18(20,15-8-5-2)16-9-6-3/h17H,4-16H2,1-3H3.
What are the key properties of 5,6-dibromo-5-butyltetradecane?
5,6-dibromo-5-butyltetradecane has a molecular weight of 412.29 g/mol, XLogP of 8.01, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-5-butyltetradecane is sourced from PubChem (CID 151305284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).