5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene

C15H15Br — CID 134898022

IUPAC5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene
SMILESBrC=C=C(C1C=CC=CC1)C1C=CC=CC1
InChIInChI=1S/C15H15Br/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-7,9,12-14H,8,10H2
InChIKeyQBSZPNMQOIEYRK-UHFFFAOYSA-N
MW275.19 g/mol
LogP4.68
Rot. Bonds2

About 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene

5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene (PubChem CID 134898022) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene
PubChem CID134898022
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene
SMILESBrC=C=C(C1C=CC=CC1)C1C=CC=CC1
InChIInChI=1S/C15H15Br/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-7,9,12-14H,8,10H2
InChIKeyQBSZPNMQOIEYRK-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene (CID 134898022) is 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene is BrC=C=C(C1C=CC=CC1)C1C=CC=CC1.
What is the InChIKey of 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene?
The InChIKey is QBSZPNMQOIEYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-7,9,12-14H,8,10H2.
What are the key properties of 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene?
5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene has a molecular weight of 275.19 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-1-cyclohexa-2,4-dien-1-ylpropa-1,2-dienyl)cyclohexa-1,3-diene is sourced from PubChem (CID 134898022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).