(4E)-7-bromo-2,4-dimethylhepta-2,4-diene

C9H15Br — CID 122235653

IUPAC(4E)-7-bromo-2,4-dimethylhepta-2,4-diene
SMILESCC(C)=C/C(C)=C/CCBr
InChIInChI=1S/C9H15Br/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6H2,1-3H3/b9-5+
InChIKeyOMBPZEDITHAOJO-WEVVVXLNSA-N
MW203.12 g/mol
LogP3.68
Rot. Bonds3

About (4E)-7-bromo-2,4-dimethylhepta-2,4-diene

(4E)-7-bromo-2,4-dimethylhepta-2,4-diene (PubChem CID 122235653) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is (4E)-7-bromo-2,4-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(4E)-7-bromo-2,4-dimethylhepta-2,4-diene
PubChem CID122235653
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name(4E)-7-bromo-2,4-dimethylhepta-2,4-diene
SMILESCC(C)=C/C(C)=C/CCBr
InChIInChI=1S/C9H15Br/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6H2,1-3H3/b9-5+
InChIKeyOMBPZEDITHAOJO-WEVVVXLNSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.68
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4E)-7-bromo-2,4-dimethylhepta-2,4-diene?
The IUPAC name of (4E)-7-bromo-2,4-dimethylhepta-2,4-diene (CID 122235653) is (4E)-7-bromo-2,4-dimethylhepta-2,4-diene.
What is the SMILES notation for (4E)-7-bromo-2,4-dimethylhepta-2,4-diene?
The canonical SMILES for (4E)-7-bromo-2,4-dimethylhepta-2,4-diene is CC(C)=C/C(C)=C/CCBr.
What is the InChIKey of (4E)-7-bromo-2,4-dimethylhepta-2,4-diene?
The InChIKey is OMBPZEDITHAOJO-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H15Br/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6H2,1-3H3/b9-5+.
What are the key properties of (4E)-7-bromo-2,4-dimethylhepta-2,4-diene?
(4E)-7-bromo-2,4-dimethylhepta-2,4-diene has a molecular weight of 203.12 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-7-bromo-2,4-dimethylhepta-2,4-diene is sourced from PubChem (CID 122235653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).