2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene

C10H14Br2 — CID 67239697

IUPAC2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=C(CBr)C=CC1(C)CBr
InChIInChI=1S/C10H14Br2/c1-8-5-9(6-11)3-4-10(8,2)7-12/h3-5,8H,6-7H2,1-2H3
InChIKeyHGMXCAZKABVASX-UHFFFAOYSA-N
MW294.03 g/mol
LogP3.91
Rot. Bonds2

About 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene

2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 67239697) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene
PubChem CID67239697
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=C(CBr)C=CC1(C)CBr
InChIInChI=1S/C10H14Br2/c1-8-5-9(6-11)3-4-10(8,2)7-12/h3-5,8H,6-7H2,1-2H3
InChIKeyHGMXCAZKABVASX-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 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene (CID 67239697) is 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene is CC1C=C(CBr)C=CC1(C)CBr.
What is the InChIKey of 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is HGMXCAZKABVASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2/c1-8-5-9(6-11)3-4-10(8,2)7-12/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene?
2,5-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 2,5-bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 67239697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).