5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene

C10H14Br2 — CID 139238323

IUPAC5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1(CBr)C=CC=CC1(C)CBr
InChIInChI=1S/C10H14Br2/c1-9(7-11)5-3-4-6-10(9,2)8-12/h3-6H,7-8H2,1-2H3
InChIKeyOIMWNHLJNHNJBG-UHFFFAOYSA-N
MW294.03 g/mol
LogP3.91
Rot. Bonds2

About 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene

5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 139238323) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene
PubChem CID139238323
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1(CBr)C=CC=CC1(C)CBr
InChIInChI=1S/C10H14Br2/c1-9(7-11)5-3-4-6-10(9,2)8-12/h3-6H,7-8H2,1-2H3
InChIKeyOIMWNHLJNHNJBG-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 53.91
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 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene (CID 139238323) is 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene is CC1(CBr)C=CC=CC1(C)CBr.
What is the InChIKey of 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is OIMWNHLJNHNJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2/c1-9(7-11)5-3-4-6-10(9,2)8-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene?
5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 294.03 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 139238323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).