[(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate

C8H10Br2O4 — CID 5355029

IUPAC[(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate
SMILESO=C(CBr)OC/C=C\COC(=O)CBr
InChIInChI=1S/C8H10Br2O4/c9-5-7(11)13-3-1-2-4-14-8(12)6-10/h1-2H,3-6H2/b2-1-
InChIKeySIHKVAXULDBIIY-UPHRSURJSA-N
MW329.97 g/mol
LogP1.42
Rot. Bonds6

About [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate

[(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate (PubChem CID 5355029) has the molecular formula C8H10Br2O4 and a molecular weight of 329.97 g/mol. Its IUPAC name is [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate.

Molecular Properties

Compound Name[(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate
PubChem CID5355029
Molecular FormulaC8H10Br2O4
Molecular Weight329.97 g/mol
Exact Mass327.89
IUPAC Name[(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate
SMILESO=C(CBr)OC/C=C\COC(=O)CBr
InChIInChI=1S/C8H10Br2O4/c9-5-7(11)13-3-1-2-4-14-8(12)6-10/h1-2H,3-6H2/b2-1-
InChIKeySIHKVAXULDBIIY-UPHRSURJSA-N
XLogP1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.97
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate?
The IUPAC name of [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate (CID 5355029) is [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate.
What is the SMILES notation for [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate?
The canonical SMILES for [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate is O=C(CBr)OC/C=C\COC(=O)CBr.
What is the InChIKey of [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate?
The InChIKey is SIHKVAXULDBIIY-UPHRSURJSA-N. The full InChI is InChI=1S/C8H10Br2O4/c9-5-7(11)13-3-1-2-4-14-8(12)6-10/h1-2H,3-6H2/b2-1-.
What are the key properties of [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate?
[(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate has a molecular weight of 329.97 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate is sourced from PubChem (CID 5355029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).