(6E,8Z)-5-oxotetradeca-6,8-dienoic acid

C14H22O3 — CID 171119093

IUPAC(6E,8Z)-5-oxotetradeca-6,8-dienoic acid
SMILESCCCCC/C=C\C=C\C(=O)CCCC(=O)O
InChIInChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h6-8,10H,2-5,9,11-12H2,1H3,(H,16,17)/b7-6-,10-8+
InChIKeyCUBKHJDNGLGYAG-VAAURPRASA-N
MW238.33 g/mol
LogP3.50
Rot. Bonds10

About (6E,8Z)-5-oxotetradeca-6,8-dienoic acid

(6E,8Z)-5-oxotetradeca-6,8-dienoic acid (PubChem CID 171119093) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (6E,8Z)-5-oxotetradeca-6,8-dienoic acid.

Molecular Properties

Compound Name(6E,8Z)-5-oxotetradeca-6,8-dienoic acid
PubChem CID171119093
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(6E,8Z)-5-oxotetradeca-6,8-dienoic acid
SMILESCCCCC/C=C\C=C\C(=O)CCCC(=O)O
InChIInChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h6-8,10H,2-5,9,11-12H2,1H3,(H,16,17)/b7-6-,10-8+
InChIKeyCUBKHJDNGLGYAG-VAAURPRASA-N
XLogP3.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,8Z)-5-oxotetradeca-6,8-dienoic acid?
The IUPAC name of (6E,8Z)-5-oxotetradeca-6,8-dienoic acid (CID 171119093) is (6E,8Z)-5-oxotetradeca-6,8-dienoic acid.
What is the SMILES notation for (6E,8Z)-5-oxotetradeca-6,8-dienoic acid?
The canonical SMILES for (6E,8Z)-5-oxotetradeca-6,8-dienoic acid is CCCCC/C=C\C=C\C(=O)CCCC(=O)O.
What is the InChIKey of (6E,8Z)-5-oxotetradeca-6,8-dienoic acid?
The InChIKey is CUBKHJDNGLGYAG-VAAURPRASA-N. The full InChI is InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h6-8,10H,2-5,9,11-12H2,1H3,(H,16,17)/b7-6-,10-8+.
What are the key properties of (6E,8Z)-5-oxotetradeca-6,8-dienoic acid?
(6E,8Z)-5-oxotetradeca-6,8-dienoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z)-5-oxotetradeca-6,8-dienoic acid is sourced from PubChem (CID 171119093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).