(4Z,6E)-7-bromo-3-methylhepta-4,6-dienal

C8H11BrO — CID 10798172

IUPAC(4Z,6E)-7-bromo-3-methylhepta-4,6-dienal
SMILESCC(/C=C\C=C\Br)CC=O
InChIInChI=1S/C8H11BrO/c1-8(5-7-10)4-2-3-6-9/h2-4,6-8H,5H2,1H3/b4-2-,6-3+
InChIKeyFFQZEBCPEFOYMV-MDNDHVJUSA-N
MW203.08 g/mol
LogP2.68
Rot. Bonds4

About (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal

(4Z,6E)-7-bromo-3-methylhepta-4,6-dienal (PubChem CID 10798172) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal.

Molecular Properties

Compound Name(4Z,6E)-7-bromo-3-methylhepta-4,6-dienal
PubChem CID10798172
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name(4Z,6E)-7-bromo-3-methylhepta-4,6-dienal
SMILESCC(/C=C\C=C\Br)CC=O
InChIInChI=1S/C8H11BrO/c1-8(5-7-10)4-2-3-6-9/h2-4,6-8H,5H2,1H3/b4-2-,6-3+
InChIKeyFFQZEBCPEFOYMV-MDNDHVJUSA-N
XLogP2.68
TPSA17.07 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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal?
The IUPAC name of (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal (CID 10798172) is (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal.
What is the SMILES notation for (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal?
The canonical SMILES for (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal is CC(/C=C\C=C\Br)CC=O.
What is the InChIKey of (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal?
The InChIKey is FFQZEBCPEFOYMV-MDNDHVJUSA-N. The full InChI is InChI=1S/C8H11BrO/c1-8(5-7-10)4-2-3-6-9/h2-4,6-8H,5H2,1H3/b4-2-,6-3+.
What are the key properties of (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal?
(4Z,6E)-7-bromo-3-methylhepta-4,6-dienal has a molecular weight of 203.08 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-bromo-3-methylhepta-4,6-dienal is sourced from PubChem (CID 10798172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).