4-bromo-5-(dibromomethylidene)oxolan-2-one

C5H3Br3O2 — CID 10268601

IUPAC4-bromo-5-(dibromomethylidene)oxolan-2-one
SMILESO=C1CC(Br)C(=C(Br)Br)O1
InChIInChI=1S/C5H3Br3O2/c6-2-1-3(9)10-4(2)5(7)8/h2H,1H2
InChIKeyMXUHFSYYFMZJNL-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.66
Rot. Bonds

About 4-bromo-5-(dibromomethylidene)oxolan-2-one

4-bromo-5-(dibromomethylidene)oxolan-2-one (PubChem CID 10268601) has the molecular formula C5H3Br3O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is 4-bromo-5-(dibromomethylidene)oxolan-2-one.

Molecular Properties

Compound Name4-bromo-5-(dibromomethylidene)oxolan-2-one
PubChem CID10268601
Molecular FormulaC5H3Br3O2
Molecular Weight334.79 g/mol
Exact Mass331.77
IUPAC Name4-bromo-5-(dibromomethylidene)oxolan-2-one
SMILESO=C1CC(Br)C(=C(Br)Br)O1
InChIInChI=1S/C5H3Br3O2/c6-2-1-3(9)10-4(2)5(7)8/h2H,1H2
InChIKeyMXUHFSYYFMZJNL-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-bromo-5-(dibromomethylidene)oxolan-2-one?
The IUPAC name of 4-bromo-5-(dibromomethylidene)oxolan-2-one (CID 10268601) is 4-bromo-5-(dibromomethylidene)oxolan-2-one.
What is the SMILES notation for 4-bromo-5-(dibromomethylidene)oxolan-2-one?
The canonical SMILES for 4-bromo-5-(dibromomethylidene)oxolan-2-one is O=C1CC(Br)C(=C(Br)Br)O1.
What is the InChIKey of 4-bromo-5-(dibromomethylidene)oxolan-2-one?
The InChIKey is MXUHFSYYFMZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br3O2/c6-2-1-3(9)10-4(2)5(7)8/h2H,1H2.
What are the key properties of 4-bromo-5-(dibromomethylidene)oxolan-2-one?
4-bromo-5-(dibromomethylidene)oxolan-2-one has a molecular weight of 334.79 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(dibromomethylidene)oxolan-2-one is sourced from PubChem (CID 10268601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).