(5Z,9E)-6-bromotetracosa-5,9-dienoic acid

C24H43BrO2 — CID 6366721

IUPAC(5Z,9E)-6-bromotetracosa-5,9-dienoic acid
SMILESCCCCCCCCCCCCCC/C=C/CC/C(Br)=C/CCCC(=O)O
InChIInChI=1S/C24H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h15-16,21H,2-14,17-20,22H2,1H3,(H,26,27)/b16-15+,23-21-
InChIKeyOINPZQORURIPFB-JLGFHRTPSA-N
MW443.51 g/mol
LogP8.95
Rot. Bonds20

About (5Z,9E)-6-bromotetracosa-5,9-dienoic acid

(5Z,9E)-6-bromotetracosa-5,9-dienoic acid (PubChem CID 6366721) has the molecular formula C24H43BrO2 and a molecular weight of 443.51 g/mol. Its IUPAC name is (5Z,9E)-6-bromotetracosa-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,9E)-6-bromotetracosa-5,9-dienoic acid
PubChem CID6366721
Molecular FormulaC24H43BrO2
Molecular Weight443.51 g/mol
Exact Mass442.24
IUPAC Name(5Z,9E)-6-bromotetracosa-5,9-dienoic acid
SMILESCCCCCCCCCCCCCC/C=C/CC/C(Br)=C/CCCC(=O)O
InChIInChI=1S/C24H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h15-16,21H,2-14,17-20,22H2,1H3,(H,26,27)/b16-15+,23-21-
InChIKeyOINPZQORURIPFB-JLGFHRTPSA-N
XLogP8.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromotetracosa-5,9-dienoic acid
CID 3025843
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(Z)-tricos-5-enoic acid
CID 170849785
(5E,9E,23E)-nonacosa-5,9,23-trienoic acid
CID 15613193
(5Z,9Z)-triaconta-5,9-dienoic acid
CID 14753662
(5Z,9Z)-heptacosa-5,9-dienoic acid
CID 44567153
(5E,9E)-hexacosa-5,9-dienoic acid
CID 5312573
(5E,9E)-triaconta-5,9-dienoic acid
CID 14753661
(5E,9Z)-6-bromo-24-methylpentacosa-5,9-dienoic acid
CID 56935823
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
icos-8-enoic acid
CID 53436342

Frequently Asked Questions

What is the IUPAC name of (5Z,9E)-6-bromotetracosa-5,9-dienoic acid?
The IUPAC name of (5Z,9E)-6-bromotetracosa-5,9-dienoic acid (CID 6366721) is (5Z,9E)-6-bromotetracosa-5,9-dienoic acid.
What is the SMILES notation for (5Z,9E)-6-bromotetracosa-5,9-dienoic acid?
The canonical SMILES for (5Z,9E)-6-bromotetracosa-5,9-dienoic acid is CCCCCCCCCCCCCC/C=C/CC/C(Br)=C/CCCC(=O)O.
What is the InChIKey of (5Z,9E)-6-bromotetracosa-5,9-dienoic acid?
The InChIKey is OINPZQORURIPFB-JLGFHRTPSA-N. The full InChI is InChI=1S/C24H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h15-16,21H,2-14,17-20,22H2,1H3,(H,26,27)/b16-15+,23-21-.
What are the key properties of (5Z,9E)-6-bromotetracosa-5,9-dienoic acid?
(5Z,9E)-6-bromotetracosa-5,9-dienoic acid has a molecular weight of 443.51 g/mol, XLogP of 8.95, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9E)-6-bromotetracosa-5,9-dienoic acid is sourced from PubChem (CID 6366721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).