1,1-dibromopenta-1,4-dien-2-ylcyclohexane

C11H16Br2 — CID 134897545

IUPAC1,1-dibromopenta-1,4-dien-2-ylcyclohexane
SMILESC=CCC(=C(Br)Br)C1CCCCC1
InChIInChI=1S/C11H16Br2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h2,9H,1,3-8H2
InChIKeyNJUXLQOXEQIYDB-UHFFFAOYSA-N
MW308.06 g/mol
LogP5.14
Rot. Bonds3

About 1,1-dibromopenta-1,4-dien-2-ylcyclohexane

1,1-dibromopenta-1,4-dien-2-ylcyclohexane (PubChem CID 134897545) has the molecular formula C11H16Br2 and a molecular weight of 308.06 g/mol. Its IUPAC name is 1,1-dibromopenta-1,4-dien-2-ylcyclohexane.

Molecular Properties

Compound Name1,1-dibromopenta-1,4-dien-2-ylcyclohexane
PubChem CID134897545
Molecular FormulaC11H16Br2
Molecular Weight308.06 g/mol
Exact Mass305.96
IUPAC Name1,1-dibromopenta-1,4-dien-2-ylcyclohexane
SMILESC=CCC(=C(Br)Br)C1CCCCC1
InChIInChI=1S/C11H16Br2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h2,9H,1,3-8H2
InChIKeyNJUXLQOXEQIYDB-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.06
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromopenta-1,4-dien-2-ylcyclohexane?
The IUPAC name of 1,1-dibromopenta-1,4-dien-2-ylcyclohexane (CID 134897545) is 1,1-dibromopenta-1,4-dien-2-ylcyclohexane.
What is the SMILES notation for 1,1-dibromopenta-1,4-dien-2-ylcyclohexane?
The canonical SMILES for 1,1-dibromopenta-1,4-dien-2-ylcyclohexane is C=CCC(=C(Br)Br)C1CCCCC1.
What is the InChIKey of 1,1-dibromopenta-1,4-dien-2-ylcyclohexane?
The InChIKey is NJUXLQOXEQIYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h2,9H,1,3-8H2.
What are the key properties of 1,1-dibromopenta-1,4-dien-2-ylcyclohexane?
1,1-dibromopenta-1,4-dien-2-ylcyclohexane has a molecular weight of 308.06 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromopenta-1,4-dien-2-ylcyclohexane is sourced from PubChem (CID 134897545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).