1,5-bis(bromomethyl)cyclohexa-1,3-diene

C8H10Br2 — CID 21386922

IUPAC1,5-bis(bromomethyl)cyclohexa-1,3-diene
SMILESBrCC1=CC=CC(CBr)C1
InChIInChI=1S/C8H10Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-3,7H,4-6H2
InChIKeyZURZTTLRJURMTA-UHFFFAOYSA-N
MW265.98 g/mol
LogP3.28
Rot. Bonds2

About 1,5-bis(bromomethyl)cyclohexa-1,3-diene

1,5-bis(bromomethyl)cyclohexa-1,3-diene (PubChem CID 21386922) has the molecular formula C8H10Br2 and a molecular weight of 265.98 g/mol. Its IUPAC name is 1,5-bis(bromomethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-bis(bromomethyl)cyclohexa-1,3-diene
PubChem CID21386922
Molecular FormulaC8H10Br2
Molecular Weight265.98 g/mol
Exact Mass263.91
IUPAC Name1,5-bis(bromomethyl)cyclohexa-1,3-diene
SMILESBrCC1=CC=CC(CBr)C1
InChIInChI=1S/C8H10Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-3,7H,4-6H2
InChIKeyZURZTTLRJURMTA-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.98
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(bromomethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,5-bis(bromomethyl)cyclohexa-1,3-diene (CID 21386922) is 1,5-bis(bromomethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,5-bis(bromomethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,5-bis(bromomethyl)cyclohexa-1,3-diene is BrCC1=CC=CC(CBr)C1.
What is the InChIKey of 1,5-bis(bromomethyl)cyclohexa-1,3-diene?
The InChIKey is ZURZTTLRJURMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-3,7H,4-6H2.
What are the key properties of 1,5-bis(bromomethyl)cyclohexa-1,3-diene?
1,5-bis(bromomethyl)cyclohexa-1,3-diene has a molecular weight of 265.98 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(bromomethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 21386922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).