7,7-dibromo-1-methoxybicyclo[4.1.0]heptane

C8H12Br2O — CID 13468563

IUPAC7,7-dibromo-1-methoxybicyclo[4.1.0]heptane
SMILESCOC12CCCCC1C2(Br)Br
InChIInChI=1S/C8H12Br2O/c1-11-7-5-3-2-4-6(7)8(7,9)10/h6H,2-5H2,1H3
InChIKeyPGDSYAHFKQPGOM-UHFFFAOYSA-N
MW283.99 g/mol
LogP3.06
Rot. Bonds1

About 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane

7,7-dibromo-1-methoxybicyclo[4.1.0]heptane (PubChem CID 13468563) has the molecular formula C8H12Br2O and a molecular weight of 283.99 g/mol. Its IUPAC name is 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-dibromo-1-methoxybicyclo[4.1.0]heptane
PubChem CID13468563
Molecular FormulaC8H12Br2O
Molecular Weight283.99 g/mol
Exact Mass281.93
IUPAC Name7,7-dibromo-1-methoxybicyclo[4.1.0]heptane
SMILESCOC12CCCCC1C2(Br)Br
InChIInChI=1S/C8H12Br2O/c1-11-7-5-3-2-4-6(7)8(7,9)10/h6H,2-5H2,1H3
InChIKeyPGDSYAHFKQPGOM-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.99
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane?
The IUPAC name of 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane (CID 13468563) is 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane is COC12CCCCC1C2(Br)Br.
What is the InChIKey of 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane?
The InChIKey is PGDSYAHFKQPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2O/c1-11-7-5-3-2-4-6(7)8(7,9)10/h6H,2-5H2,1H3.
What are the key properties of 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane?
7,7-dibromo-1-methoxybicyclo[4.1.0]heptane has a molecular weight of 283.99 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dibromo-1-methoxybicyclo[4.1.0]heptane is sourced from PubChem (CID 13468563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).