3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene

C8H10Br2O — CID 578353

IUPAC3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene
SMILESCOC12C=CC1C(Br)C(Br)C2
InChIInChI=1S/C8H10Br2O/c1-11-8-3-2-5(8)7(10)6(9)4-8/h2-3,5-7H,4H2,1H3
InChIKeyUIUIPAXJVOPVAJ-UHFFFAOYSA-N
MW281.98 g/mol
LogP2.49
Rot. Bonds1

About 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene

3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene (PubChem CID 578353) has the molecular formula C8H10Br2O and a molecular weight of 281.98 g/mol. Its IUPAC name is 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene
PubChem CID578353
Molecular FormulaC8H10Br2O
Molecular Weight281.98 g/mol
Exact Mass279.91
IUPAC Name3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene
SMILESCOC12C=CC1C(Br)C(Br)C2
InChIInChI=1S/C8H10Br2O/c1-11-8-3-2-5(8)7(10)6(9)4-8/h2-3,5-7H,4H2,1H3
InChIKeyUIUIPAXJVOPVAJ-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.98
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene?
The IUPAC name of 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene (CID 578353) is 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene is COC12C=CC1C(Br)C(Br)C2.
What is the InChIKey of 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene?
The InChIKey is UIUIPAXJVOPVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2O/c1-11-8-3-2-5(8)7(10)6(9)4-8/h2-3,5-7H,4H2,1H3.
What are the key properties of 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene?
3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene has a molecular weight of 281.98 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-methoxybicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 578353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).