1-bromo-3,7,11-trimethyldodeca-2,4-diene

C15H27Br — CID 154093071

IUPAC1-bromo-3,7,11-trimethyldodeca-2,4-diene
SMILESCC(C=CCC(C)CCCC(C)C)=CCBr
InChIInChI=1S/C15H27Br/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6,10-11,13-14H,5,7-9,12H2,1-4H3
InChIKeyXOBULJUBVDAICU-UHFFFAOYSA-N
MW287.29 g/mol
LogP5.74
Rot. Bonds8

About 1-bromo-3,7,11-trimethyldodeca-2,4-diene

1-bromo-3,7,11-trimethyldodeca-2,4-diene (PubChem CID 154093071) has the molecular formula C15H27Br and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-bromo-3,7,11-trimethyldodeca-2,4-diene.

Molecular Properties

Compound Name1-bromo-3,7,11-trimethyldodeca-2,4-diene
PubChem CID154093071
Molecular FormulaC15H27Br
Molecular Weight287.29 g/mol
Exact Mass286.13
IUPAC Name1-bromo-3,7,11-trimethyldodeca-2,4-diene
SMILESCC(C=CCC(C)CCCC(C)C)=CCBr
InChIInChI=1S/C15H27Br/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6,10-11,13-14H,5,7-9,12H2,1-4H3
InChIKeyXOBULJUBVDAICU-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.29
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,7,11-trimethyldodeca-2,4-diene?
The IUPAC name of 1-bromo-3,7,11-trimethyldodeca-2,4-diene (CID 154093071) is 1-bromo-3,7,11-trimethyldodeca-2,4-diene.
What is the SMILES notation for 1-bromo-3,7,11-trimethyldodeca-2,4-diene?
The canonical SMILES for 1-bromo-3,7,11-trimethyldodeca-2,4-diene is CC(C=CCC(C)CCCC(C)C)=CCBr.
What is the InChIKey of 1-bromo-3,7,11-trimethyldodeca-2,4-diene?
The InChIKey is XOBULJUBVDAICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27Br/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h6,10-11,13-14H,5,7-9,12H2,1-4H3.
What are the key properties of 1-bromo-3,7,11-trimethyldodeca-2,4-diene?
1-bromo-3,7,11-trimethyldodeca-2,4-diene has a molecular weight of 287.29 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,7,11-trimethyldodeca-2,4-diene is sourced from PubChem (CID 154093071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).