1-bromo-2-(bromomethyl)cycloheptene

C8H12Br2 — CID 14967688

IUPAC1-bromo-2-(bromomethyl)cycloheptene
SMILESBrCC1=C(Br)CCCCC1
InChIInChI=1S/C8H12Br2/c9-6-7-4-2-1-3-5-8(7)10/h1-6H2
InChIKeyUZRVYCCBFDQVOF-UHFFFAOYSA-N
MW267.99 g/mol
LogP3.99
Rot. Bonds1

About 1-bromo-2-(bromomethyl)cycloheptene

1-bromo-2-(bromomethyl)cycloheptene (PubChem CID 14967688) has the molecular formula C8H12Br2 and a molecular weight of 267.99 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)cycloheptene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)cycloheptene
PubChem CID14967688
Molecular FormulaC8H12Br2
Molecular Weight267.99 g/mol
Exact Mass265.93
IUPAC Name1-bromo-2-(bromomethyl)cycloheptene
SMILESBrCC1=C(Br)CCCCC1
InChIInChI=1S/C8H12Br2/c9-6-7-4-2-1-3-5-8(7)10/h1-6H2
InChIKeyUZRVYCCBFDQVOF-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.99
LogP ≤ 53.99
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-bromo-2-(bromomethyl)cycloheptene?
The IUPAC name of 1-bromo-2-(bromomethyl)cycloheptene (CID 14967688) is 1-bromo-2-(bromomethyl)cycloheptene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)cycloheptene?
The canonical SMILES for 1-bromo-2-(bromomethyl)cycloheptene is BrCC1=C(Br)CCCCC1.
What is the InChIKey of 1-bromo-2-(bromomethyl)cycloheptene?
The InChIKey is UZRVYCCBFDQVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2/c9-6-7-4-2-1-3-5-8(7)10/h1-6H2.
What are the key properties of 1-bromo-2-(bromomethyl)cycloheptene?
1-bromo-2-(bromomethyl)cycloheptene has a molecular weight of 267.99 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)cycloheptene is sourced from PubChem (CID 14967688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).