1-(dibromomethyl)tricyclo[4.2.0.02,7]octane

C9H12Br2 — CID 177469763

IUPAC1-(dibromomethyl)tricyclo[4.2.0.02,7]octane
SMILESBrC(Br)C12CC3C1CCCC32
InChIInChI=1S/C9H12Br2/c10-8(11)9-4-5-6(9)2-1-3-7(5)9/h5-8H,1-4H2
InChIKeyWAWLJROEWUYIQY-UHFFFAOYSA-N
MW280.00 g/mol
LogP3.54
Rot. Bonds1

About 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane

1-(dibromomethyl)tricyclo[4.2.0.02,7]octane (PubChem CID 177469763) has the molecular formula C9H12Br2 and a molecular weight of 280.00 g/mol. Its IUPAC name is 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane.

Molecular Properties

Compound Name1-(dibromomethyl)tricyclo[4.2.0.02,7]octane
PubChem CID177469763
Molecular FormulaC9H12Br2
Molecular Weight280.00 g/mol
Exact Mass277.93
IUPAC Name1-(dibromomethyl)tricyclo[4.2.0.02,7]octane
SMILESBrC(Br)C12CC3C1CCCC32
InChIInChI=1S/C9H12Br2/c10-8(11)9-4-5-6(9)2-1-3-7(5)9/h5-8H,1-4H2
InChIKeyWAWLJROEWUYIQY-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.00
LogP ≤ 53.54
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-(dibromomethyl)tricyclo[4.2.0.02,7]octane?
The IUPAC name of 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane (CID 177469763) is 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane.
What is the SMILES notation for 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane?
The canonical SMILES for 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane is BrC(Br)C12CC3C1CCCC32.
What is the InChIKey of 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane?
The InChIKey is WAWLJROEWUYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2/c10-8(11)9-4-5-6(9)2-1-3-7(5)9/h5-8H,1-4H2.
What are the key properties of 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane?
1-(dibromomethyl)tricyclo[4.2.0.02,7]octane has a molecular weight of 280.00 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)tricyclo[4.2.0.02,7]octane is sourced from PubChem (CID 177469763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).