(5Z,7E)-21-bromohenicosa-5,7-diene

C21H39Br — CID 146189402

IUPAC(5Z,7E)-21-bromohenicosa-5,7-diene
SMILESCCCC/C=C\C=C\CCCCCCCCCCCCCBr
InChIInChI=1S/C21H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h5-8H,2-4,9-21H2,1H3/b6-5-,8-7+
InChIKeyASQNQBYZVPFNFO-IGTJQSIKSA-N
MW371.45 g/mol
LogP8.37
Rot. Bonds17

About (5Z,7E)-21-bromohenicosa-5,7-diene

(5Z,7E)-21-bromohenicosa-5,7-diene (PubChem CID 146189402) has the molecular formula C21H39Br and a molecular weight of 371.45 g/mol. Its IUPAC name is (5Z,7E)-21-bromohenicosa-5,7-diene.

Molecular Properties

Compound Name(5Z,7E)-21-bromohenicosa-5,7-diene
PubChem CID146189402
Molecular FormulaC21H39Br
Molecular Weight371.45 g/mol
Exact Mass370.22
IUPAC Name(5Z,7E)-21-bromohenicosa-5,7-diene
SMILESCCCC/C=C\C=C\CCCCCCCCCCCCCBr
InChIInChI=1S/C21H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h5-8H,2-4,9-21H2,1H3/b6-5-,8-7+
InChIKeyASQNQBYZVPFNFO-IGTJQSIKSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.45
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(E)-15-bromopentadec-5-ene
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(Z)-1-bromotetradec-6-ene
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(E)-18-bromooctadec-6-ene
CID 10711567
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
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(E)-1-bromoundec-5-ene
CID 13044969
(22E)-heptatetraconta-22,24-diene
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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-21-bromohenicosa-5,7-diene?
The IUPAC name of (5Z,7E)-21-bromohenicosa-5,7-diene (CID 146189402) is (5Z,7E)-21-bromohenicosa-5,7-diene.
What is the SMILES notation for (5Z,7E)-21-bromohenicosa-5,7-diene?
The canonical SMILES for (5Z,7E)-21-bromohenicosa-5,7-diene is CCCC/C=C\C=C\CCCCCCCCCCCCCBr.
What is the InChIKey of (5Z,7E)-21-bromohenicosa-5,7-diene?
The InChIKey is ASQNQBYZVPFNFO-IGTJQSIKSA-N. The full InChI is InChI=1S/C21H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h5-8H,2-4,9-21H2,1H3/b6-5-,8-7+.
What are the key properties of (5Z,7E)-21-bromohenicosa-5,7-diene?
(5Z,7E)-21-bromohenicosa-5,7-diene has a molecular weight of 371.45 g/mol, XLogP of 8.37, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-21-bromohenicosa-5,7-diene is sourced from PubChem (CID 146189402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).