(2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene

C10H16Br2 — CID 10859407

IUPAC(2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene
SMILESCC(C)(C)C(/C=C\CBr)=C/CBr
InChIInChI=1S/C10H16Br2/c1-10(2,3)9(6-8-12)5-4-7-11/h4-6H,7-8H2,1-3H3/b5-4-,9-6+
InChIKeyZZKYDOSQIZKTSZ-KMOPYBJPSA-N
MW296.05 g/mol
LogP4.30
Rot. Bonds3

About (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene

(2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene (PubChem CID 10859407) has the molecular formula C10H16Br2 and a molecular weight of 296.05 g/mol. Its IUPAC name is (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene
PubChem CID10859407
Molecular FormulaC10H16Br2
Molecular Weight296.05 g/mol
Exact Mass293.96
IUPAC Name(2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene
SMILESCC(C)(C)C(/C=C\CBr)=C/CBr
InChIInChI=1S/C10H16Br2/c1-10(2,3)9(6-8-12)5-4-7-11/h4-6H,7-8H2,1-3H3/b5-4-,9-6+
InChIKeyZZKYDOSQIZKTSZ-KMOPYBJPSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 54.30
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,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene?
The IUPAC name of (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene (CID 10859407) is (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene.
What is the SMILES notation for (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene?
The canonical SMILES for (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene is CC(C)(C)C(/C=C\CBr)=C/CBr.
What is the InChIKey of (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene?
The InChIKey is ZZKYDOSQIZKTSZ-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H16Br2/c1-10(2,3)9(6-8-12)5-4-7-11/h4-6H,7-8H2,1-3H3/b5-4-,9-6+.
What are the key properties of (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene?
(2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene has a molecular weight of 296.05 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene is sourced from PubChem (CID 10859407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).