1,4-bis(2-bromoethoxy)but-2-ene

C8H14Br2O2 — CID 140987163

IUPAC1,4-bis(2-bromoethoxy)but-2-ene
SMILESBrCCOCC=CCOCCBr
InChIInChI=1S/C8H14Br2O2/c9-3-7-11-5-1-2-6-12-8-4-10/h1-2H,3-8H2
InChIKeyDECSHVMHDLHLGM-UHFFFAOYSA-N
MW302.01 g/mol
LogP2.37
Rot. Bonds8

About 1,4-bis(2-bromoethoxy)but-2-ene

1,4-bis(2-bromoethoxy)but-2-ene (PubChem CID 140987163) has the molecular formula C8H14Br2O2 and a molecular weight of 302.01 g/mol. Its IUPAC name is 1,4-bis(2-bromoethoxy)but-2-ene.

Molecular Properties

Compound Name1,4-bis(2-bromoethoxy)but-2-ene
PubChem CID140987163
Molecular FormulaC8H14Br2O2
Molecular Weight302.01 g/mol
Exact Mass299.94
IUPAC Name1,4-bis(2-bromoethoxy)but-2-ene
SMILESBrCCOCC=CCOCCBr
InChIInChI=1S/C8H14Br2O2/c9-3-7-11-5-1-2-6-12-8-4-10/h1-2H,3-8H2
InChIKeyDECSHVMHDLHLGM-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.01
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,4-bis(2-bromoethoxy)but-2-ene?
The IUPAC name of 1,4-bis(2-bromoethoxy)but-2-ene (CID 140987163) is 1,4-bis(2-bromoethoxy)but-2-ene.
What is the SMILES notation for 1,4-bis(2-bromoethoxy)but-2-ene?
The canonical SMILES for 1,4-bis(2-bromoethoxy)but-2-ene is BrCCOCC=CCOCCBr.
What is the InChIKey of 1,4-bis(2-bromoethoxy)but-2-ene?
The InChIKey is DECSHVMHDLHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br2O2/c9-3-7-11-5-1-2-6-12-8-4-10/h1-2H,3-8H2.
What are the key properties of 1,4-bis(2-bromoethoxy)but-2-ene?
1,4-bis(2-bromoethoxy)but-2-ene has a molecular weight of 302.01 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-bromoethoxy)but-2-ene is sourced from PubChem (CID 140987163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).