(E)-7-bromohept-5-enal

C7H11BrO — CID 14941815

IUPAC(E)-7-bromohept-5-enal
SMILESO=CCCC/C=C/CBr
InChIInChI=1S/C7H11BrO/c8-6-4-2-1-3-5-7-9/h2,4,7H,1,3,5-6H2/b4-2+
InChIKeyZYXYVWJLELEEFQ-DUXPYHPUSA-N
MW191.07 g/mol
LogP2.31
Rot. Bonds5

About (E)-7-bromohept-5-enal

(E)-7-bromohept-5-enal (PubChem CID 14941815) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is (E)-7-bromohept-5-enal.

Molecular Properties

Compound Name(E)-7-bromohept-5-enal
PubChem CID14941815
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name(E)-7-bromohept-5-enal
SMILESO=CCCC/C=C/CBr
InChIInChI=1S/C7H11BrO/c8-6-4-2-1-3-5-7-9/h2,4,7H,1,3,5-6H2/b4-2+
InChIKeyZYXYVWJLELEEFQ-DUXPYHPUSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (E)-7-bromohept-5-enal?
The IUPAC name of (E)-7-bromohept-5-enal (CID 14941815) is (E)-7-bromohept-5-enal.
What is the SMILES notation for (E)-7-bromohept-5-enal?
The canonical SMILES for (E)-7-bromohept-5-enal is O=CCCC/C=C/CBr.
What is the InChIKey of (E)-7-bromohept-5-enal?
The InChIKey is ZYXYVWJLELEEFQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H11BrO/c8-6-4-2-1-3-5-7-9/h2,4,7H,1,3,5-6H2/b4-2+.
What are the key properties of (E)-7-bromohept-5-enal?
(E)-7-bromohept-5-enal has a molecular weight of 191.07 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-bromohept-5-enal is sourced from PubChem (CID 14941815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).