1,4-bis(bromomethyl)bicyclo[2.2.2]octane

C10H16Br2 — CID 67234679

IUPAC1,4-bis(bromomethyl)bicyclo[2.2.2]octane
SMILESBrCC12CCC(CBr)(CC1)CC2
InChIInChI=1S/C10H16Br2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h1-8H2
InChIKeyUOOKHDGJGDNVTM-UHFFFAOYSA-N
MW296.05 g/mol
LogP4.12
Rot. Bonds2

About 1,4-bis(bromomethyl)bicyclo[2.2.2]octane

1,4-bis(bromomethyl)bicyclo[2.2.2]octane (PubChem CID 67234679) has the molecular formula C10H16Br2 and a molecular weight of 296.05 g/mol. Its IUPAC name is 1,4-bis(bromomethyl)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1,4-bis(bromomethyl)bicyclo[2.2.2]octane
PubChem CID67234679
Molecular FormulaC10H16Br2
Molecular Weight296.05 g/mol
Exact Mass293.96
IUPAC Name1,4-bis(bromomethyl)bicyclo[2.2.2]octane
SMILESBrCC12CCC(CBr)(CC1)CC2
InChIInChI=1S/C10H16Br2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h1-8H2
InChIKeyUOOKHDGJGDNVTM-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 54.12
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 1,4-bis(bromomethyl)bicyclo[2.2.2]octane?
The IUPAC name of 1,4-bis(bromomethyl)bicyclo[2.2.2]octane (CID 67234679) is 1,4-bis(bromomethyl)bicyclo[2.2.2]octane.
What is the SMILES notation for 1,4-bis(bromomethyl)bicyclo[2.2.2]octane?
The canonical SMILES for 1,4-bis(bromomethyl)bicyclo[2.2.2]octane is BrCC12CCC(CBr)(CC1)CC2.
What is the InChIKey of 1,4-bis(bromomethyl)bicyclo[2.2.2]octane?
The InChIKey is UOOKHDGJGDNVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h1-8H2.
What are the key properties of 1,4-bis(bromomethyl)bicyclo[2.2.2]octane?
1,4-bis(bromomethyl)bicyclo[2.2.2]octane has a molecular weight of 296.05 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(bromomethyl)bicyclo[2.2.2]octane is sourced from PubChem (CID 67234679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).