4-(2-bromoethyl)dodec-1-ene

C14H27Br — CID 101431503

IUPAC4-(2-bromoethyl)dodec-1-ene
SMILESC=CCC(CCBr)CCCCCCCC
InChIInChI=1S/C14H27Br/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-15/h4,14H,2-3,5-13H2,1H3
InChIKeyCKPPOBBJLBUWJO-UHFFFAOYSA-N
MW275.27 g/mol
LogP5.71
Rot. Bonds11

About 4-(2-bromoethyl)dodec-1-ene

4-(2-bromoethyl)dodec-1-ene (PubChem CID 101431503) has the molecular formula C14H27Br and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-(2-bromoethyl)dodec-1-ene.

Molecular Properties

Compound Name4-(2-bromoethyl)dodec-1-ene
PubChem CID101431503
Molecular FormulaC14H27Br
Molecular Weight275.27 g/mol
Exact Mass274.13
IUPAC Name4-(2-bromoethyl)dodec-1-ene
SMILESC=CCC(CCBr)CCCCCCCC
InChIInChI=1S/C14H27Br/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-15/h4,14H,2-3,5-13H2,1H3
InChIKeyCKPPOBBJLBUWJO-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.27
LogP ≤ 55.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)dodec-1-ene?
The IUPAC name of 4-(2-bromoethyl)dodec-1-ene (CID 101431503) is 4-(2-bromoethyl)dodec-1-ene.
What is the SMILES notation for 4-(2-bromoethyl)dodec-1-ene?
The canonical SMILES for 4-(2-bromoethyl)dodec-1-ene is C=CCC(CCBr)CCCCCCCC.
What is the InChIKey of 4-(2-bromoethyl)dodec-1-ene?
The InChIKey is CKPPOBBJLBUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Br/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-15/h4,14H,2-3,5-13H2,1H3.
What are the key properties of 4-(2-bromoethyl)dodec-1-ene?
4-(2-bromoethyl)dodec-1-ene has a molecular weight of 275.27 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)dodec-1-ene is sourced from PubChem (CID 101431503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).