(1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene

C8H11BrO — CID 88601656

IUPAC(1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene
SMILESC=C/C(=C/C=C/Br)OCC
InChIInChI=1S/C8H11BrO/c1-3-8(10-4-2)6-5-7-9/h3,5-7H,1,4H2,2H3/b7-5+,8-6-
InChIKeyGJLYLBRDCFNFJA-YMBWGVAGSA-N
MW203.08 g/mol
LogP3.00
Rot. Bonds4

About (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene

(1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene (PubChem CID 88601656) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene
PubChem CID88601656
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name(1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene
SMILESC=C/C(=C/C=C/Br)OCC
InChIInChI=1S/C8H11BrO/c1-3-8(10-4-2)6-5-7-9/h3,5-7H,1,4H2,2H3/b7-5+,8-6-
InChIKeyGJLYLBRDCFNFJA-YMBWGVAGSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene?
The IUPAC name of (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene (CID 88601656) is (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene.
What is the SMILES notation for (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene?
The canonical SMILES for (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene is C=C/C(=C/C=C/Br)OCC.
What is the InChIKey of (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene?
The InChIKey is GJLYLBRDCFNFJA-YMBWGVAGSA-N. The full InChI is InChI=1S/C8H11BrO/c1-3-8(10-4-2)6-5-7-9/h3,5-7H,1,4H2,2H3/b7-5+,8-6-.
What are the key properties of (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene?
(1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene has a molecular weight of 203.08 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-bromo-4-ethoxyhexa-1,3,5-triene is sourced from PubChem (CID 88601656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).