2-bromo-1,3-bis(but-3-enoxy)benzene

C14H17BrO2 — CID 11077332

IUPAC2-bromo-1,3-bis(but-3-enoxy)benzene
SMILESC=CCCOc1cccc(OCCC=C)c1Br
InChIInChI=1S/C14H17BrO2/c1-3-5-10-16-12-8-7-9-13(14(12)15)17-11-6-4-2/h3-4,7-9H,1-2,5-6,10-11H2
InChIKeyKYBVVZPJVXTNON-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.36
Rot. Bonds8

About 2-bromo-1,3-bis(but-3-enoxy)benzene

2-bromo-1,3-bis(but-3-enoxy)benzene (PubChem CID 11077332) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-bromo-1,3-bis(but-3-enoxy)benzene.

Molecular Properties

Compound Name2-bromo-1,3-bis(but-3-enoxy)benzene
PubChem CID11077332
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-bromo-1,3-bis(but-3-enoxy)benzene
SMILESC=CCCOc1cccc(OCCC=C)c1Br
InChIInChI=1S/C14H17BrO2/c1-3-5-10-16-12-8-7-9-13(14(12)15)17-11-6-4-2/h3-4,7-9H,1-2,5-6,10-11H2
InChIKeyKYBVVZPJVXTNON-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-bis(but-3-enoxy)benzene?
The IUPAC name of 2-bromo-1,3-bis(but-3-enoxy)benzene (CID 11077332) is 2-bromo-1,3-bis(but-3-enoxy)benzene.
What is the SMILES notation for 2-bromo-1,3-bis(but-3-enoxy)benzene?
The canonical SMILES for 2-bromo-1,3-bis(but-3-enoxy)benzene is C=CCCOc1cccc(OCCC=C)c1Br.
What is the InChIKey of 2-bromo-1,3-bis(but-3-enoxy)benzene?
The InChIKey is KYBVVZPJVXTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-3-5-10-16-12-8-7-9-13(14(12)15)17-11-6-4-2/h3-4,7-9H,1-2,5-6,10-11H2.
What are the key properties of 2-bromo-1,3-bis(but-3-enoxy)benzene?
2-bromo-1,3-bis(but-3-enoxy)benzene has a molecular weight of 297.19 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-bis(but-3-enoxy)benzene is sourced from PubChem (CID 11077332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).