1,2-dibromo-3-prop-2-enoxypropane

C6H10Br2O — CID 13108533

IUPAC1,2-dibromo-3-prop-2-enoxypropane
SMILESC=CCOCC(Br)CBr
InChIInChI=1S/C6H10Br2O/c1-2-3-9-5-6(8)4-7/h2,6H,1,3-5H2
InChIKeyFQSOAMUBELBMAS-UHFFFAOYSA-N
MW257.95 g/mol
LogP2.35
Rot. Bonds5

About 1,2-dibromo-3-prop-2-enoxypropane

1,2-dibromo-3-prop-2-enoxypropane (PubChem CID 13108533) has the molecular formula C6H10Br2O and a molecular weight of 257.95 g/mol. Its IUPAC name is 1,2-dibromo-3-prop-2-enoxypropane.

Molecular Properties

Compound Name1,2-dibromo-3-prop-2-enoxypropane
PubChem CID13108533
Molecular FormulaC6H10Br2O
Molecular Weight257.95 g/mol
Exact Mass255.91
IUPAC Name1,2-dibromo-3-prop-2-enoxypropane
SMILESC=CCOCC(Br)CBr
InChIInChI=1S/C6H10Br2O/c1-2-3-9-5-6(8)4-7/h2,6H,1,3-5H2
InChIKeyFQSOAMUBELBMAS-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.95
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1,2-dibromo-3-prop-2-enoxypropane?
The IUPAC name of 1,2-dibromo-3-prop-2-enoxypropane (CID 13108533) is 1,2-dibromo-3-prop-2-enoxypropane.
What is the SMILES notation for 1,2-dibromo-3-prop-2-enoxypropane?
The canonical SMILES for 1,2-dibromo-3-prop-2-enoxypropane is C=CCOCC(Br)CBr.
What is the InChIKey of 1,2-dibromo-3-prop-2-enoxypropane?
The InChIKey is FQSOAMUBELBMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O/c1-2-3-9-5-6(8)4-7/h2,6H,1,3-5H2.
What are the key properties of 1,2-dibromo-3-prop-2-enoxypropane?
1,2-dibromo-3-prop-2-enoxypropane has a molecular weight of 257.95 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-prop-2-enoxypropane is sourced from PubChem (CID 13108533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).