(2E,4E)-7-bromohepta-2,4-diene

C7H11Br — CID 12853153

IUPAC(2E,4E)-7-bromohepta-2,4-diene
SMILESC/C=C/C=C/CCBr
InChIInChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h2-5H,6-7H2,1H3/b3-2+,5-4+
InChIKeyIJCYKWJSOIUCGM-MQQKCMAXSA-N
MW175.07 g/mol
LogP2.90
Rot. Bonds3

About (2E,4E)-7-bromohepta-2,4-diene

(2E,4E)-7-bromohepta-2,4-diene (PubChem CID 12853153) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is (2E,4E)-7-bromohepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-7-bromohepta-2,4-diene
PubChem CID12853153
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name(2E,4E)-7-bromohepta-2,4-diene
SMILESC/C=C/C=C/CCBr
InChIInChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h2-5H,6-7H2,1H3/b3-2+,5-4+
InChIKeyIJCYKWJSOIUCGM-MQQKCMAXSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 52.90
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 (2E,4E)-7-bromohepta-2,4-diene?
The IUPAC name of (2E,4E)-7-bromohepta-2,4-diene (CID 12853153) is (2E,4E)-7-bromohepta-2,4-diene.
What is the SMILES notation for (2E,4E)-7-bromohepta-2,4-diene?
The canonical SMILES for (2E,4E)-7-bromohepta-2,4-diene is C/C=C/C=C/CCBr.
What is the InChIKey of (2E,4E)-7-bromohepta-2,4-diene?
The InChIKey is IJCYKWJSOIUCGM-MQQKCMAXSA-N. The full InChI is InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h2-5H,6-7H2,1H3/b3-2+,5-4+.
What are the key properties of (2E,4E)-7-bromohepta-2,4-diene?
(2E,4E)-7-bromohepta-2,4-diene has a molecular weight of 175.07 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-bromohepta-2,4-diene is sourced from PubChem (CID 12853153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).