(3Z,5Z)-1-bromoocta-3,5-diene

C8H13Br — CID 59164026

IUPAC(3Z,5Z)-1-bromoocta-3,5-diene
SMILESCC/C=C\C=C/CCBr
InChIInChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h3-6H,2,7-8H2,1H3/b4-3-,6-5-
InChIKeyFTGDDWLXEDEMCF-OUPQRBNQSA-N
MW189.10 g/mol
LogP3.29
Rot. Bonds4

About (3Z,5Z)-1-bromoocta-3,5-diene

(3Z,5Z)-1-bromoocta-3,5-diene (PubChem CID 59164026) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (3Z,5Z)-1-bromoocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-1-bromoocta-3,5-diene
PubChem CID59164026
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(3Z,5Z)-1-bromoocta-3,5-diene
SMILESCC/C=C\C=C/CCBr
InChIInChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h3-6H,2,7-8H2,1H3/b4-3-,6-5-
InChIKeyFTGDDWLXEDEMCF-OUPQRBNQSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-bromoocta-3,5-diene?
The IUPAC name of (3Z,5Z)-1-bromoocta-3,5-diene (CID 59164026) is (3Z,5Z)-1-bromoocta-3,5-diene.
What is the SMILES notation for (3Z,5Z)-1-bromoocta-3,5-diene?
The canonical SMILES for (3Z,5Z)-1-bromoocta-3,5-diene is CC/C=C\C=C/CCBr.
What is the InChIKey of (3Z,5Z)-1-bromoocta-3,5-diene?
The InChIKey is FTGDDWLXEDEMCF-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h3-6H,2,7-8H2,1H3/b4-3-,6-5-.
What are the key properties of (3Z,5Z)-1-bromoocta-3,5-diene?
(3Z,5Z)-1-bromoocta-3,5-diene has a molecular weight of 189.10 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-bromoocta-3,5-diene is sourced from PubChem (CID 59164026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).