1-bromododeca-2,4,6-triene

C12H19Br — CID 87237823

IUPAC1-bromododeca-2,4,6-triene
SMILESCCCCCC=CC=CC=CCBr
InChIInChI=1S/C12H19Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-11H,2-5,12H2,1H3
InChIKeyCUOSWUAFUQTADE-UHFFFAOYSA-N
MW243.19 g/mol
LogP4.63
Rot. Bonds7

About 1-bromododeca-2,4,6-triene

1-bromododeca-2,4,6-triene (PubChem CID 87237823) has the molecular formula C12H19Br and a molecular weight of 243.19 g/mol. Its IUPAC name is 1-bromododeca-2,4,6-triene.

Molecular Properties

Compound Name1-bromododeca-2,4,6-triene
PubChem CID87237823
Molecular FormulaC12H19Br
Molecular Weight243.19 g/mol
Exact Mass242.07
IUPAC Name1-bromododeca-2,4,6-triene
SMILESCCCCCC=CC=CC=CCBr
InChIInChI=1S/C12H19Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-11H,2-5,12H2,1H3
InChIKeyCUOSWUAFUQTADE-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 54.63
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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1-bromononadec-2-ene
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1-bromonon-2-ene
CID 54029005
pentadeca-3,5,7,9-tetraene
CID 151958393
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
(6E)-octadeca-4,6-diene
CID 173243345
(2E,5E)-1-bromoundeca-2,5-diene
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(5Z,7E)-21-bromohenicosa-5,7-diene
CID 146189402

Frequently Asked Questions

What is the IUPAC name of 1-bromododeca-2,4,6-triene?
The IUPAC name of 1-bromododeca-2,4,6-triene (CID 87237823) is 1-bromododeca-2,4,6-triene.
What is the SMILES notation for 1-bromododeca-2,4,6-triene?
The canonical SMILES for 1-bromododeca-2,4,6-triene is CCCCCC=CC=CC=CCBr.
What is the InChIKey of 1-bromododeca-2,4,6-triene?
The InChIKey is CUOSWUAFUQTADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-11H,2-5,12H2,1H3.
What are the key properties of 1-bromododeca-2,4,6-triene?
1-bromododeca-2,4,6-triene has a molecular weight of 243.19 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromododeca-2,4,6-triene is sourced from PubChem (CID 87237823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).