7-bromo-2,4-dimethylhepta-2,4-diene

C9H15Br — CID 79591243

IUPAC7-bromo-2,4-dimethylhepta-2,4-diene
SMILESCC(C)=CC(C)=CCCBr
InChIInChI=1S/C9H15Br/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6H2,1-3H3
InChIKeyOMBPZEDITHAOJO-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.68
Rot. Bonds3

About 7-bromo-2,4-dimethylhepta-2,4-diene

7-bromo-2,4-dimethylhepta-2,4-diene (PubChem CID 79591243) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 7-bromo-2,4-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name7-bromo-2,4-dimethylhepta-2,4-diene
PubChem CID79591243
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name7-bromo-2,4-dimethylhepta-2,4-diene
SMILESCC(C)=CC(C)=CCCBr
InChIInChI=1S/C9H15Br/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6H2,1-3H3
InChIKeyOMBPZEDITHAOJO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dimethylhepta-2,4-diene?
The IUPAC name of 7-bromo-2,4-dimethylhepta-2,4-diene (CID 79591243) is 7-bromo-2,4-dimethylhepta-2,4-diene.
What is the SMILES notation for 7-bromo-2,4-dimethylhepta-2,4-diene?
The canonical SMILES for 7-bromo-2,4-dimethylhepta-2,4-diene is CC(C)=CC(C)=CCCBr.
What is the InChIKey of 7-bromo-2,4-dimethylhepta-2,4-diene?
The InChIKey is OMBPZEDITHAOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6H2,1-3H3.
What are the key properties of 7-bromo-2,4-dimethylhepta-2,4-diene?
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 7-bromo-2,4-dimethylhepta-2,4-diene is sourced from PubChem (CID 79591243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).